Hydrochloric Acid

Hydrochloric Acid

SCHEMBL479729

Cc1cc(CN)ccc1C(=O)O.Cl

nearest known ligand 0.49

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
GABRP known ✓ O00591 1/20 0.41
GABRD known ✓ O14764 1/20 0.41
GABRA1 known ✓ P14867 1/20 0.41
GABRB1 known ✓ P18505 1/20 0.41
GABRG2 known ✓ P18507 1/20 0.41
GABRB3 known ✓ P28472 1/20 0.41
GABRA5 known ✓ P31644 1/20 0.41
GABRA3 known ✓ P34903 1/20 0.41
GABRA2 known ✓ P47869 1/20 0.41
GABRB2 known ✓ P47870 1/20 0.41
GABRA4 known ✓ P48169 1/20 0.41
GABRE known ✓ P78334 1/20 0.41
GABRA6 known ✓ Q16445 1/20 0.41
GABRG1 known ✓ Q8N1C3 1/20 0.41
GABRG3 known ✓ Q99928 1/20 0.41
GABRQ known ✓ Q9UN88 1/20 0.41
AGTR1 known ✓ P30556 1/20 0.40
NR1H4 Q96RI1 1/20 0.49
RARB P10826 1/20 0.48
RXRA P19793 2/20 0.45

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
SCHEMBL1146167 0.98 NR1H4 (0.50) NR1H4RARBRXRAHMGB1CXCL12
Hydrochloric Acid SCHEMBL3575176 0.86 RARB (0.49) NR1H4RARBRXRAHMGB1CXCL12
Hydrochloric Acid SCHEMBL1671059 0.85 ALDH1A1 (0.46) RARBHMGB1CXCL12PLGKLK1
SCHEMBL5097471 0.84 RARB (0.50) NR1H4RARBRXRAHMGB1CXCL12
SCHEMBL1671899 0.83 ALDH1A1 (0.47) RARBHMGB1CXCL12PLGKLK1
SCHEMBL6224042 0.83 MKNK1 (0.44) PLGKLK1KLK6LOXL2
SCHEMBL107902 0.82 HMGB1 (0.58) NR1H4RARBRXRAHMGB1CXCL12
SCHEMBL1627397 0.81 NR1H4 (0.51) NR1H4RARBRXRAHMGB1CXCL12
SCHEMBL2343149 0.81 ALDH1A1 (0.55) NR1H4RARBRXRAHMGB1CXCL12
Hydrochloric Acid SCHEMBL12499723 0.81 LOXL2 (0.59) PLGKLK1KLK6LOXL2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11358936-B2 Lysyl oxidase-like 2 inhibitors and uses thereof PHARMAKEA, INC. (US) 2022-06-14 US disclosed
US-20210171465-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA INC (US) 2021-06-10 US disclosed
EP-3265445-B1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA INC (US) 2021-05-05 EP disclosed
US-10766860-B2 Lysyl oxidase-like 2 inhibitors and uses thereof PHARMAKEA, INC. (US) 2020-09-08 US disclosed
US-20180057458-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2018-03-01 US disclosed
EP-3265445-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF Pharmakea, Inc. (US) 2018-01-10 EP disclosed
WO-2016144702-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2016-09-15 WO disclosed
US-8796290-B2 Substituted fused pyrimidine compounds, its preparation and uses thereof ADVINUS THERAPEUTICS LIMITED (IN) 2014-08-05 US disclosed
EP-2411361-B1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-06-18 EP disclosed
US-8450525-B2 Histone deacetylase inhibitors ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-05-28 US disclosed
WO-2004041788-A1 NOVEL PYRIMIDINE-4,6-DICARBOXAMIDES FOR THE SELECTIVE INHIBITION OF COLLAGENASES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-05-21 WO disclosed
EP-1409546-A2 PROTEASE INHIBITOR CONJUGATES AND ANTIBODIES USEFUL IN IMMUNOASSAY Roche Diagnostics GmbH (DE) 2004-04-21 EP disclosed
US-6596772-B1 Relates to trifluoromethyl sulfonyl and trifluoromethyl sulfonamido compounds and the physiologically acceptable salts and the prodrugs thereof. These compounds are expected to modulate the activity of protein tyrosine enzymes which are SUGEN, INC. 2003-07-22 US disclosed
US-20030114447-A1 Small molecule inhibitors of caspases SUNESIS PHARMACEUTICALS, INC. 2003-06-19 US disclosed
US-20030100088-A1 Protease inhibitor conjugates and antibodies useful in immunoassay ROCHE DIAGNOSTICS OPERATIONS, INC. 2003-05-29 US disclosed
WO-2003029224-A1 6-MEMBERED UNSATURATED HETEROCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2003-04-10 WO disclosed
WO-2003024955-A2 SMALL MOLECULE INHIBITORS OF CASPASES SUNESIS PHARMACEUTICALS, INC. (US) 2003-03-27 WO disclosed
WO-2003006506-A2 PROTEASE INHIBITOR CONJUGATES AND ANTIBODIES USEFUL IN IMMUNOASSAY ROCHE DIAGNOSTICS GMBH (DE) 2003-01-23 WO disclosed
EP-1212296-A1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS Sugen, Inc. (US) 2002-06-12 EP disclosed
WO-2001016097-A1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN, INC. (US) 2001-03-08 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 (6 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-20030100088-A1 Protease inhibitor conjugates and antibodies useful in immunoassay SERPINB1, HPN, SPR GABRP 2084/4885GABRD 3290/4885GABRA1 3723/4885
US-11358936-B2 Lysyl oxidase-like 2 inhibitors and uses thereof LOXL2, LOXL1, LOX GABRP 4482/4885GABRD 3952/4885GABRA1 4195/4885
US-20210171465-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX GABRP 4482/4885GABRD 3952/4885GABRA1 4195/4885
US-20030114447-A1 Small molecule inhibitors of caspases CASP1, CASP9, CASP2 GABRP 2754/4885GABRD 3540/4885GABRA1 3470/4885
US-10766860-B2 Lysyl oxidase-like 2 inhibitors and uses thereof LOXL2, LOXL1, LOX GABRP 4482/4885GABRD 3952/4885GABRA1 4195/4885
US-20180057458-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX GABRP 4482/4885GABRD 3952/4885GABRA1 4195/4885

“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.