Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2859581

Cl.NC(=O)c1ccc(F)cc1

nearest known ligand 0.95

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
MAOB known ✓ P27338 1/20 0.58
PTGS1 known ✓ P23219 1/20 0.55
CA2 known ✓ P00918 4/20 0.54
PARP1 known ✓ P09874 3/20 0.52
CES2 O00748 1/20 0.59
CES1 P23141 1/20 0.59
PARP10 Q53GL7 4/20 0.58
CA1 P00915 3/20 0.54
POLB P06746 1/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.52
CYP2C19 P33261 1/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 2/20 0.52

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
Hydrochloric Acid SCHEMBL4375910 1.00 CES2 (0.59) CES2CES1PARP10MAOBPTGS1
Hydrochloric Acid SCHEMBL3845508 1.00 CES2 (0.59) CES2CES1PARP10MAOBPTGS1
SCHEMBL12441973 0.97 CES2 (0.62) CES2CES1PARP10MAOBPTGS1
SCHEMBL52708 0.97 CES2 (0.62) CES2CES1PARP10MAOBPTGS1
Bromide SCHEMBL27321813 0.95 CES2 (0.59) CES2CES1PARP10MAOBPTGS1
Hydrochloric Acid SCHEMBL30685286 0.93 BCL2L1 (0.61) CES2CES1PARP10MAOBPTGS1
Benzene SCHEMBL27719819 0.92 PARP1 (0.64) CES2CES1PARP10MAOBPTGS1
Thiourea SCHEMBL28414185 0.90 PARP10 (0.55) CES2CES1PARP10MAOBPTGS1
SCHEMBL4187898 0.90 LTA4H (0.59) CES2CES1PARP10MAOBPTGS1
SCHEMBL1927476 0.90 BCL2L1 (0.64) CES2CES1PARP10MAOBPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260125645-A1 METHODS AND PHARMACOLOGICAL AGENTS FOR INCREASING EXPANSION, ENGRAFTMENT OR IMMUNE OUTPUT OF HUMAN HEMATOPOIETIC STEM CELLS IN TRANSPLANTATION AND DISEASE SETTINGS VALORISATION HSJ LP (CA) 2026-05-07 US disclosed
WO-2024073845-A1 METHODS AND PHARMACOLOGICAL AGENTS FOR INCREASING EXPANSION, ENGRAFTMENT OR IMMUNE OUTPUT OF HUMAN HEMATOPOIETIC STEM CELLS IN TRANSPLANTATION AND DISEASE SETTINGS VALORISATION HSJ, LIMITED PARTNERSHIP (CA) 2024-04-11 WO disclosed
CN-112867721-B STING agonistic compounds 小野药品工业株式会社 2023-12-08 CN disclosed
EP-2230241-B1 TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES, PREPARATION METHODS AND MEDICAL USES THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2014-11-26 EP disclosed
US-8513411-B2 Tetrahydro-imidazo[1,5-α] pyrazine derivatives, preparation process and medicinal use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2013-08-20 US disclosed
US-20120220766-A1 TETRAHYDRO-IMIDAZO[1,5-alpha] PYRAZINE DERIVATIVES, PREPERATION PROCESS AND MEDICINAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2012-08-30 US disclosed
US-8207161-B2 Tetrahydro-imidazo[1,5-α]pyrazine derivatives, preparation process and medicinal use thereof JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2012-06-26 US disclosed
CN-102336749-A Allosteric modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA 2012-02-01 CN disclosed
CN-1898206-B Allosteric modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA 2011-09-14 CN disclosed
CN-1720238-B Neurologically-active compounds PRANA BIOTECHNOLOGY LTD 2011-08-03 CN disclosed
WO-2005121140-A1 PYRROLOPYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-12-22 WO disclosed
EP-1558585-A1 NEUROLOGICALLY-ACTIVE COMPOUNDS Prana Biotechnology Ltd (AU) 2005-08-03 EP disclosed
CN-1649857-A Hydroxamic acid derivatives NOVARTIS AG (CH) 2005-08-03 CN disclosed
CN-1633436-A Pyrrolopyrimidine derivatives TEIJIN LTD (JP) 2005-06-29 CN disclosed
WO-2005044797-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-05-19 WO disclosed
EP-1497273-A2 HYDROXAMIC ACID DERIVATIVES Novartis AG (CH) 2005-01-19 EP disclosed
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2005-01-06 US disclosed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO disclosed
WO-2004031161-A1 NEUROLOGICALLY-ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LIMITED (AU) 2004-04-15 WO disclosed
WO-2003084941-A2 HYDROXAMIC ACID DERIVATIVES NOVARTIS AG (CH) 2003-10-16 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 (3 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-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors MMP13, MMP12, MMP25 MAOB 2354/4885PTGS1 729/4885CA2 250/4885
US-20120220766-A1 TETRAHYDRO-IMIDAZO[1,5-alpha] PYRAZINE DERIVATIVES, PREPERATION PROCESS AND MEDICINAL USE THEREOF DPP4, DPP3, DPP7 MAOB 725/4885PTGS1 421/4885CA2 2434/4885
US-20260125645-A1 METHODS AND PHARMACOLOGICAL AGENTS FOR INCREASING EXPANSION, ENGRAFTMENT OR IMMUNE OUTPUT OF HUMAN HEMATOPOIETIC STEM CELLS IN TRANSPLANTATION AND DISEASE SETTINGS HTR1F, HTR1A, HTR1D MAOB 490/4885PTGS1 803/4885CA2 4860/4885

“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.