Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2432397

Cl.O=C(Cl)c1cnccc1Cl

nearest known ligand 0.56

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
ROCK2 known ✓ O75116 1/20 0.56
ROCK1 known ✓ Q13464 1/20 0.56
JAK2 known ✓ O60674 2/20 0.40
GAA known ✓ P10253 1/20 0.39
JAK1 known ✓ P23458 1/20 0.38
TDP1 Q9NUW8 2/20 0.41
SIRT3 Q9NTG7 1/20 0.41
CYP11B2 P19099 1/20 0.40
TYK2 P29597 2/20 0.40
ALDH1A1 P00352 2/20 0.38
KDM4C Q9H3R0 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KDM6B O15054 1/20 0.38
KDM4A O75164 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4D Q6B0I6 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL587010 0.98 ROCK2 (0.58) ROCK2ROCK1TDP1SIRT3CYP11B2
SCHEMBL30465597 0.98 ROCK2 (0.58) ROCK2ROCK1TDP1SIRT3CYP11B2
Hydrochloric Acid SCHEMBL17143441 0.83 ROCK2 (0.56) ROCK2ROCK1TDP1SIRT3GAA
Hydrochloric Acid SCHEMBL1942270 0.83 ROCK2 (0.56) ROCK2ROCK1TDP1SIRT3GAA
Hydrochloric Acid SCHEMBL2841145 0.83 GAA (0.43) ROCK2ROCK1TDP1SIRT3CYP11B2
Hydrochloric Acid SCHEMBL17318497 0.82 ROCK2 (0.59) ROCK2ROCK1TDP1SIRT3CYP11B2
SCHEMBL1027774 0.81 GAA (0.45) ROCK2ROCK1TDP1SIRT3CYP11B2
SCHEMBL15514423 0.81 ROCK2 (0.58) ROCK2ROCK1TDP1SIRT3CYP11B2
SCHEMBL29574646 0.81 ROCK2 (0.58) ROCK2ROCK1TDP1SIRT3GAA
SCHEMBL7533 0.81 ROCK2 (0.58) ROCK2ROCK1TDP1SIRT3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630550-B2 Pharmacophore for trail induction THE SCRIPPS RESEARCH INSTITUTE (US) 2026-05-19 US disclosed
EP-4470617-A2 PHARMACOPHORE FOR TRAIL INDUCTION The Scripps Research Institute (US) 2024-12-04 EP disclosed
EP-3662910-B1 PHARMACOPHORE FOR TRAIL INDUCTION SCRIPPS RESEARCH INST (US) 2024-09-18 EP disclosed
US-20240190877-A1 PHARMACOPHORE FOR TRAIL INDUCTION THE SCRIPPS RESEARCH INSTITUTE 2024-06-13 US disclosed
US-11891392-B2 Pharmacophore for trail induction THE SCRIPPS RESEARCH INSTITUTE (US) 2024-02-06 US disclosed
CN-111499636-B Pharmacophores for TRAIL induction 斯克里普斯研究学院(US) 2023-01-13 CN disclosed
US-20220002300-A1 PHARMACOPHORE FOR TRAIL INDUCTION THE SCRIPPS RESEARCH INSTITUTE 2022-01-06 US disclosed
US-20200283440-A1 PHARMACOPHORE FOR TRAIL INDUCTION THE SCRIPPS RESEARCH INSTITUTE (US) 2020-09-10 US disclosed
CN-111499636-A Pharmacophores for TRAI L induction 斯克里普斯研究学院 2020-08-07 CN disclosed
EP-3662910-A1 PHARMACOPHORE FOR TRAIL INDUCTION The Scripps Research Institute (US) 2020-06-10 EP disclosed
US-7553854-B2 6-O-substituted benzoxazole and benzothiazole compounds and methods of inhibiting CSF-1R signaling NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-06-30 US disclosed
CN-101432281-A 6-O-substituted benzoxazole and benzothiazole compounds and methods for inhibiting CSF-1R signaling NOVARTIS AG (CH) 2009-05-13 CN disclosed
EP-2010528-A2 6-O-SUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE COMPOUNDS AND METHODS OF INHIBITING CSF-1R SIGNALING Novartis Pharma AG (CH) 2009-01-07 EP disclosed
US-20080139631-A1 3-(2-methyl-4-(trifluoromethyl)-5-cyano-indol-1-yl-methyl)-5-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole or salt thereof; hypogonadism, sarcopenia, osteoporosis, wasting diseases, cancer cachexia, frailty, prostatic hyperplasia, prostate cancer, breast cancer; selective androgen receptor modulators SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 US disclosed
WO-2008042571-A2 SUBSTITUTED INDOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-04-10 WO disclosed
US-20080045528-A1 6-O-SUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE COMPOUNDS AND METHODS OF INHIBITING CSF-1R SIGNALING NOVARTIS AG 2008-02-21 US disclosed
WO-2007121484-A2 6-O-SUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE COMPOUNDS AND METHODS OF INHIBITING CSF-1R SIGNALING NOVARTIS AG (CH) 2007-10-25 WO disclosed
US-20070219215-A1 Thioamides and Salts Thereof and Cytokine Production Inhibitors Containing Both ISHIHARA SANGYO KAISHA, LTD (JP) 2007-09-20 US disclosed
EP-1716851-A1 THIOAMIDES AND SALTS THEREOF AND CYTOKINE PRODUCTION INHIBITORS CONTAINING BOTH ISHIHARA SANGYO KAISHA, LTD. (JP) 2006-11-02 EP disclosed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US 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-12630550-B2 Pharmacophore for trail induction STAT3, STAT1, STAT4 ROCK2 2057/4885ROCK1 2381/4885JAK2 98/4885
US-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 ROCK2 102/4885ROCK1 53/4885JAK2 1655/4885
US-20070219215-A1 Thioamides and Salts Thereof and Cytokine Production Inhibitors Containing Both IFNG, TST, STAT6 ROCK2 3692/4885ROCK1 3486/4885JAK2 22/4885
US-20220002300-A1 PHARMACOPHORE FOR TRAIL INDUCTION AIFM1, TNFRSF1A, TNFSF10 ROCK2 3621/4885ROCK1 3611/4885JAK2 3294/4885
US-20080045528-A1 6-O-SUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE COMPOUNDS AND METHODS OF INHIBITING CSF-1R SIGNALING CSF1R, CSF3R, FLT3 ROCK2 2104/4885ROCK1 1227/4885JAK2 56/4885
US-11891392-B2 Pharmacophore for trail induction AIFM1, TNFRSF1A, TNFSF10 ROCK2 3621/4885ROCK1 3611/4885JAK2 3294/4885
US-20240190877-A1 PHARMACOPHORE FOR TRAIL INDUCTION AIFM1, TNFRSF1A, TNFSF10 ROCK2 3621/4885ROCK1 3611/4885JAK2 3294/4885
US-20080139631-A1 3-(2-methyl-4-(trifluoromethyl)-5-cyano-indol-1-yl-methyl)-5-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole or salt thereof; hypogonadism, sarcopenia, osteoporosis, wasting diseases, cancer cachexia, frailty, prostatic hyperplasia, prostate cancer, breast cancer; selective androgen receptor modulators AR, NR5A1, NR3C2 ROCK2 1054/4885ROCK1 421/4885JAK2 610/4885
US-20200283440-A1 PHARMACOPHORE FOR TRAIL INDUCTION AIFM1, TNFRSF1A, TNFSF10 ROCK2 3621/4885ROCK1 3611/4885JAK2 3294/4885

“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.