Hydrochloric Acid

Hydrochloric Acid

SCHEMBL944164

CNCc1ccc(C(=O)O)cc1.Cl

nearest known ligand 0.63

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 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.63
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 2/20 0.56
CYP3A4 P08684 1/20 0.56
MAPT P10636 1/20 0.56
NR1H4 Q96RI1 4/20 0.53
EPHX2 P34913 3/20 0.53
SRD5A2 P31213 1/20 0.52
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL249385 0.98 KMT2A (0.66) KMT2AALDH1A1KDM4ECYP3A4MAPT
SCHEMBL5616342 0.89 KMT2A (0.56) KMT2AALDH1A1KDM4ECYP3A4MAPT
N-Benzylmethylamine SCHEMBL28452678 0.86 KDM4E (0.65) KMT2AALDH1A1KDM4ECYP3A4MAPT
SCHEMBL5499807 0.83 KMT2A (0.50) KMT2AALDH1A1NR1H4EPHX2SRD5A2
Hydrochloric Acid SCHEMBL15392980 0.83 ALDH1A1 (0.78) KMT2AALDH1A1KDM4ENR1H4EPHX2
SCHEMBL11864213 0.82 ALDH1A1 (0.62) KMT2AALDH1A1KDM4EMAPTNR1H4
SCHEMBL24178010 0.81 ALDH1A1 (0.59) KMT2AALDH1A1KDM4ENR1H4EPHX2
SCHEMBL10131958 0.81 KMT2A (0.68) KMT2AALDH1A1KDM4ECYP3A4MAPT
SCHEMBL3503996 0.80 ALDH1A1 (0.81) KMT2AALDH1A1KDM4ENR1H4EPHX2
Hydrochloric Acid SCHEMBL9638765 0.80 LOXL2 (0.61) KMT2AMAPTHPGDTSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220306647-A1 NOVEL INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITUS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2022-09-29 US disclosed
US-20220227785-A1 NOVEL PHENYL AND PYRIDYL UREAS ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2022-07-21 US disclosed
EP-3962914-A1 NOVEL INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AiCuris GmbH & Co. KG (DE) 2022-03-09 EP disclosed
EP-3962912-A1 NOVEL PHENYL AND PYRIDYL UREAS ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AiCuris GmbH & Co. KG (DE) 2022-03-09 EP disclosed
CN-113767101-A Novel indole-2-carboxamides having anti-Hepatitis B Virus (HBV) activity 艾库里斯有限及两合公司 2021-12-07 CN disclosed
CN-113767102-A Novel phenyl and pyridylureas having activity against Hepatitis B Virus (HBV) 艾库里斯有限及两合公司 2021-12-07 CN disclosed
WO-2020221826-A1 NOVEL INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2020-11-05 WO disclosed
WO-2020221816-A1 NOVEL PHENYL AND PYRIDYL UREAS ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2020-11-05 WO disclosed
US-8450306-B2 Bradykinin B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8252785-B2 Aryl sulfonamides as bradykinin-B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-28 US disclosed
US-4990533-A Benzoic acid and benzoic acid ester derivatives having anti-inflammatory and analgesic activity WARNER-LAMBERT CO. (US) 1991-02-05 US disclosed
US-4980095-A Sodium salt of N-C4-carboxybenzyl nonanamide WARNER-LAMBERT COMPANY (US) 1990-12-25 US disclosed
US-4771064-A Benzoic acid and benzoic acid ester derivatives having antiflammatory and analgesic activity WARNER-LAMBERT COMPANY (US) 1988-09-13 US disclosed
US-4755518-A Imidazolyl or tetrazolyl substituted benzoic acid derivatives and pharmaceutical compositions thereof WARNER-LAMBERT COMPANY (US) 1988-07-05 US disclosed
US-4719232-A Benzoic acid and benzoic acid ester derivatives to treat headaches WARNER-LAMBERT COMPANY (US) 1988-01-12 US disclosed
US-4719234-A Benzoic acid and benzoic acid ester derivatives to treat inflammation WARNER-LAMBERT COMPANY (US) 1988-01-12 US disclosed
US-4719233-A Benzoic acid and benzoic acid ester derivatives to treat pain WARNER-LAMBERT COMPANY (US) 1988-01-12 US disclosed
US-4689182-A Benzoic acid and benzoic acid ester derivatives having anti-inflammatory and analgesic activity WARNER-LAMBERT COMPANY (US) 1987-08-25 US disclosed
CN-86108626-A Phenylformic acid and benzoate derivatives with anti-inflammatory and pain palliation efficacy 1987-07-22 CN disclosed
EP-0226223-A2 Benzoic acid and benzoic acid ester derivatives having anti-inflammatory and analgesic activity WARNER-LAMBERT COMPANY (US) 1987-06-24 EP 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 (2 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-20220227785-A1 NOVEL PHENYL AND PYRIDYL UREAS ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) HCCS, CDKN1A, CDK2 KMT2A 2823/4885ALDH1A1 4309/4885KDM4E 707/4885
US-20220306647-A1 NOVEL INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITUS B VIRUS (HBV) HCCS, IDO1, BRD4 KMT2A 1228/4885ALDH1A1 3923/4885KDM4E 1019/4885

“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.