Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2457796

CNCC(Cl)c1ccc(OC(C)=O)cc1.Cl

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA known ✓ P10253 2/20 0.41
HSP90AA1 known ✓ P07900 1/20 0.41
ESR1 known ✓ P03372 2/20 0.41
ADRA2A known ✓ P08913 1/20 0.41
PDE4A known ✓ P27815 1/20 0.41
ADRA1A known ✓ P35348 1/20 0.41
OPRK1 known ✓ P41145 1/20 0.41
SLC6A3 known ✓ Q01959 1/20 0.41
ADRB2 known ✓ P07550 1/20 0.38
CYP19A1 known ✓ P11511 1/20 0.38
TTR known ✓ P02766 1/20 0.37
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.41
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 2/20 0.41
HIF1A Q16665 2/20 0.41
ABCB11 O95342 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5732933 0.98 LMNA (0.46) LMNAMAPTGAAALDH1A1HSP90AA1
SCHEMBL13799154 0.81 TAAR1 (0.49) LMNAMAPTGAAALDH1A1HSP90AA1
SCHEMBL11577701 0.81 TDP1 (0.56) LMNAMAPTGAAALDH1A1HSP90AA1
SCHEMBL30943786 0.80 LMNA (0.50) LMNAMAPTGAAALDH1A1HSP90AA1
Hydrochloric Acid SCHEMBL2528523 0.80 LMNA (0.43) LMNAMAPTGAAALDH1A1HSP90AA1
SCHEMBL31173886 0.79 LMNA (0.48) LMNAMAPTGAAALDH1A1HSP90AA1
SCHEMBL17066188 0.78 LMNA (0.47) LMNAMAPTGAAALDH1A1HSP90AA1
SCHEMBL11669502 0.76 LMNA (0.57) LMNAMAPTGAAALDH1A1HSP90AA1
SCHEMBL15473414 0.75 LMNA (0.44) LMNAMAPTGAAALDH1A1HSP90AA1
SCHEMBL24747284 0.72 LMNA (0.62) LMNAMAPTGAAALDH1A1HSP90AA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10799475-B2 Substituted phenyl aziridine precursor analogs for inhibiting androgen-independent prostate cancer cell growth NORTHWESTERN UNIVERSITY (US) 2020-10-13 US claimed
US-20180344691-A1 Substituted Phenyl Aziridine Precursor Analogs for Inhibiting Androgen-Independent Prostate Cancer Cell Growth NORTHWESTERN UNIVERSITY (US) 2018-12-06 US claimed
US-20170216249-A1 Substituted Phenyl Aziridine Precursor Analogs for Inhibiting Androgen-Independent Prostate Cancer Cell Growth NORTHWESTERN UNIVERSITY (US) 2017-08-03 US claimed
US-20160089354-A1 Substituted Phenyl Aziridine Precursor Analogs for Inhibiting Androgen-Independent Cancer Cell Growth NORTHWESTERN UNIVERSITY (US) 2016-03-31 US claimed
US-9126997-B1 Synergistic effect of glucocorticoid receptor agonists in combination with proteosome inhibitors for treating leukemia and myeloma NORTHWESTERN UNIVERSITY (US) 2015-09-08 US claimed
US-20140045938-A1 Substituted Phenyl Aziridine Precursor Analogs for Inhibiting Androgen-Independent Prostate Cancer Cell Growth NORTHWESTERN UNIVERSITY (US) 2014-02-13 US claimed
WO-2009092796-A1 SYNEPHRINE DERIVATIVES FOR THE TREATMENT OF CANCER UNIVERSITEIT GENT (BE) 2009-07-30 WO claimed
US-20090029999-A1 Synephrine derivatives useful as anti-inflammatory agents UNIVERSITEIT GENT (BE) 2009-01-29 US claimed
EP-3768324-B1 METHODS FOR MODULATING INNATE LYMPHOID CELL ACTIVITY, ANTIBODY DRUG CONJUGATES AND USES IN THERAPY INST NAT SANTE RECH MED (FR) 2025-11-26 EP disclosed
US-20210187105-A1 COMBINATION THERAPY OF ANTI-MIF ANTIBODIES AND GLUCOCORTICOIDS Baxalta GmbH (CH) 2021-06-24 US disclosed
US-10799475-B2 Substituted phenyl aziridine precursor analogs for inhibiting androgen-independent prostate cancer cell growth NORTHWESTERN UNIVERSITY (US) 2020-10-13 US disclosed
US-20180344691-A1 Substituted Phenyl Aziridine Precursor Analogs for Inhibiting Androgen-Independent Prostate Cancer Cell Growth NORTHWESTERN UNIVERSITY (US) 2018-12-06 US disclosed
US-20180280501-A1 COMBINATION THERAPY OF ANTI-MIF ANTIBODIES AND GLUCOCORTICOIDS BAXALTA INCORPORATED 2018-10-04 US disclosed
US-20170216249-A1 Substituted Phenyl Aziridine Precursor Analogs for Inhibiting Androgen-Independent Prostate Cancer Cell Growth NORTHWESTERN UNIVERSITY (US) 2017-08-03 US disclosed
US-20030055030-A1 Use of carboxy compounds such as 2(4-acetoxyphenyl)-2-chloro-N-methyl-ethylammonium chloride as anti-inflammatory agents GENT UNIVERSITEIT (BE) 2003-03-20 US disclosed
US-20030055030-A1 Use of carboxy compounds such as 2(4-acetoxyphenyl)-2-chloro-N-methyl-ethylammonium chloride as anti-inflammatory agents GENT UNIVERSITEIT (BE) 2003-03-20 US disclosed
EP-1239850-A1 USE OF CARBOXY COMPOUNDS SUCH AS 2(4-ACETOXYPHENYL)-2-CHLORO-N-METHYL-ETHYLAMMONIUM CHLORIDE AS ANTI-INFLAMMATORY AGENTS Vlaams Interuniversitair Instituut voor Biotechnologie vzw. (BE) 2002-09-18 EP disclosed
EP-1239850-A1 USE OF CARBOXY COMPOUNDS SUCH AS 2(4-ACETOXYPHENYL)-2-CHLORO-N-METHYL-ETHYLAMMONIUM CHLORIDE AS ANTI-INFLAMMATORY AGENTS Vlaams Interuniversitair Instituut voor Biotechnologie vzw. (BE) 2002-09-18 EP disclosed
WO-2001045693-A1 USE OF CARBOXY COMPOUNDS SUCH AS 2(4-ACETOXYPHENYL)-2-CHLORO-N-METHYL-ETHYLAMMONIUM CHLORIDE AS ANTI-INFLAMMATORY AGENTS VLAAMS INTERUNIVERSITAIR INSTITUUT VOOR BIOTECHNOLOGIE VZW (BE) 2001-06-28 WO disclosed
WO-2001045693-A1 USE OF CARBOXY COMPOUNDS SUCH AS 2(4-ACETOXYPHENYL)-2-CHLORO-N-METHYL-ETHYLAMMONIUM CHLORIDE AS ANTI-INFLAMMATORY AGENTS VLAAMS INTERUNIVERSITAIR INSTITUUT VOOR BIOTECHNOLOGIE VZW (BE) 2001-06-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090029999-A1 Synephrine derivatives useful as anti-inflammatory agents HRH1, HRH3, HRH2 GAA 4431/4885HSP90AA1 2227/4885ESR1 3542/4885
US-20180344691-A1 Substituted Phenyl Aziridine Precursor Analogs for Inhibiting Androgen-Independent Prostate Cancer Cell Growth NR5A1, AR, CYP17A1 GAA 3102/4885HSP90AA1 589/4885ESR1 151/4885
US-20160089354-A1 Substituted Phenyl Aziridine Precursor Analogs for Inhibiting Androgen-Independent Cancer Cell Growth NR5A1, AR, CYP17A1 GAA 2882/4885HSP90AA1 609/4885ESR1 133/4885
US-20030055030-A1 Use of carboxy compounds such as 2(4-acetoxyphenyl)-2-chloro-N-methyl-ethylammonium chloride as anti-inflammatory agents CCL5, C5AR2, CCL2 GAA 1738/4885HSP90AA1 3737/4885ESR1 2465/4885
US-20180280501-A1 COMBINATION THERAPY OF ANTI-MIF ANTIBODIES AND GLUCOCORTICOIDS MIF, SERPINA6, NR3C1 GAA 2098/4885HSP90AA1 257/4885ESR1 1328/4885
US-20170216249-A1 Substituted Phenyl Aziridine Precursor Analogs for Inhibiting Androgen-Independent Prostate Cancer Cell Growth NR5A1, AR, CYP17A1 GAA 3102/4885HSP90AA1 589/4885ESR1 151/4885
US-20210187105-A1 COMBINATION THERAPY OF ANTI-MIF ANTIBODIES AND GLUCOCORTICOIDS MIF, SERPINA6, NR3C1 GAA 2098/4885HSP90AA1 257/4885ESR1 1328/4885
US-20140045938-A1 Substituted Phenyl Aziridine Precursor Analogs for Inhibiting Androgen-Independent Prostate Cancer Cell Growth NR5A1, AR, CYP17A1 GAA 3102/4885HSP90AA1 589/4885ESR1 151/4885
US-10799475-B2 Substituted phenyl aziridine precursor analogs for inhibiting androgen-independent prostate cancer cell growth NR5A1, AR, CYP17A1 GAA 3102/4885HSP90AA1 589/4885ESR1 151/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.