Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5664263

Cl.NNc1ccc(-c2ccccc2)cc1

nearest known ligand 0.65

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
PTGS2 known ✓ P35354 1/20 0.65
MMP8 known ✓ P22894 1/20 0.41
CA2 known ✓ P00918 2/20 0.41
AGTR1 known ✓ P30556 1/20 0.40
CYP3A4 P08684 2/20 0.65
TDP1 Q9NUW8 2/20 0.65
CYP1A2 P05177 2/20 0.65
IDO1 P14902 2/20 0.65
LMNA P02545 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
TAAR1 Q96RJ0 3/20 0.48
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 3/20 0.47
PTPN1 P18031 2/20 0.45
PTPN11 Q06124 1/20 0.45
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL486107 0.97 TDP1 (0.68) CYP3A4TDP1CYP1A2IDO1LMNA
Biphenyl SCHEMBL27571445 0.89 TDP1 (0.82) CYP3A4TDP1CYP1A2IDO1LMNA
Hydrochloric Acid SCHEMBL31628644 0.89 TDP1 (0.53) CYP3A4TDP1CYP1A2IDO1LMNA
Hydrochloric Acid SCHEMBL30096476 0.89 TDP1 (0.53) CYP3A4TDP1CYP1A2IDO1LMNA
Biphenyl SCHEMBL27808430 0.86 TDP1 (0.78) CYP3A4TDP1CYP1A2IDO1LMNA
Hydrochloric Acid SCHEMBL30583826 0.86 TDP1 (0.50) CYP3A4TDP1CYP1A2IDO1LMNA
SCHEMBL4094372 0.86 TDP1 (0.56) CYP3A4TDP1CYP1A2IDO1LMNA
SCHEMBL10387580 0.85 CYP3A4 (0.67) CYP3A4TDP1CYP1A2IDO1LMNA
Biphenyl SCHEMBL185563 0.83 LMNA (0.56) CYP3A4TDP1CYP1A2IDO1LMNA
Phenylhydrazine SCHEMBL304025 0.83

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180088124-A1 DETECTION METHOD FOR QUATERNARY AMMONIUM COMPOUND HAVING y-CARBOXYL GROUP KAOHSIUNG MEDICAL UNIVERSITY (TW) 2018-03-29 US claimed
CN-119552120-A Pyrazole and imidazole compounds for inhibiting IL-17 and rory 里亚塔医药公司 2025-03-04 CN disclosed
CN-112654610-B Pyrazole and imidazole compounds for inhibiting IL-17 and rory 里亚塔医药公司 2024-12-24 CN disclosed
US-20240360084-A1 PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA REATA PHARMACEUTICALS INC (US) 2024-10-31 US disclosed
US-11993574-B2 Pyrazole and imidazole compounds for inhibition of IL-17 and RORgamma REATA PHARMACEUTICALS, INC (US) 2024-05-28 US disclosed
US-20210292281-A1 PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA REATA PHARMACEUTICALS, INC. (US) 2021-09-23 US disclosed
US-11016096-B2 Detection kit for quaternary ammonium compound having γ-carboxyl group KAOHSIUNG MEDICAL UNIVERSITY (TW) 2021-05-25 US disclosed
EP-3807265-A1 PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA Reata Pharmaceuticals, Inc. (US) 2021-04-21 EP disclosed
CN-112654610-A Pyrazole and imidazole compounds for inhibiting IL-17 and ROR gamma 里亚塔医药公司 2021-04-13 CN disclosed
US-20200283681-A1 DETECTION KIT FOR QUATERNARY AMMONIUM COMPOUND HAVING y-CARBOXYL GROUP KAOHSIUNG MEDICAL UNIVERSITY (TW) 2020-09-10 US disclosed
US-10703969-B2 Detection method for quaternary ammonium compound having γ-carboxyl group KAOHSIUNG MEDICAL UNIVERSITY (TW) 2020-07-07 US disclosed
CN-109705126-A A kind of compound and application for organic electroluminescence device 赛洛普(武汉)科技有限公司 2019-05-03 CN disclosed
US-20180088124-A1 DETECTION METHOD FOR QUATERNARY AMMONIUM COMPOUND HAVING y-CARBOXYL GROUP KAOHSIUNG MEDICAL UNIVERSITY (TW) 2018-03-29 US disclosed
CN-100387594-C Di-aryl substituted pyrazole modulators of metabotropic glutamate receptor-5 MERCK & CO INC (US) 2008-05-14 CN disclosed
US-20060194807-A1 Di-aryl substituted pyrazole modulators of metabotropic glutamate receptor-5 MERCK & CO., INC. 2006-08-31 US disclosed
CN-1795184-A Di-aryl substituted pyrazole modulators of metabotropic glutamate receptor-5 MERCK & CO INC (US) 2006-06-28 CN disclosed
EP-1613614-A2 DI-ARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Merck & Co., Inc. (US) 2006-01-11 EP disclosed
WO-2004089303-A2 DI-ARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO., INC. (US) 2004-10-21 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 (4 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-20210292281-A1 PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA RORC, RORB, RORA PTGS2 789/4885MMP8 2099/4885CA2 3135/4885
US-20240360084-A1 PYRAZOLE AND IMIDAZOLE COMPOUNDS FOR INHIBITION OF IL-17 AND RORGAMMA RORC, RORB, RORA PTGS2 789/4885MMP8 2099/4885CA2 3135/4885
US-11993574-B2 Pyrazole and imidazole compounds for inhibition of IL-17 and RORgamma RORC, RORB, RORA PTGS2 789/4885MMP8 2099/4885CA2 3135/4885
US-20060194807-A1 Di-aryl substituted pyrazole modulators of metabotropic glutamate receptor-5 GRM5, GRM1, GRIK5 PTGS2 2804/4885MMP8 4852/4885CA2 4021/4885

“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.