Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2238154

CN(CC(=O)O)c1ccccc1.Cl

nearest known ligand 0.47

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
CA2 known ✓ P00918 1/20 0.46
GLA known ✓ P06280 1/20 0.45
OPRM1 known ✓ P35372 1/20 0.43
EGFR known ✓ P00533 1/20 0.43
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
NLRP3 Q96P20 1/20 0.47
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
ALDH1A1 P00352 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
TSHR P16473 1/20 0.45
OPRL1 P41146 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HTT P42858 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL196635 0.98 KMT2A (0.49) KMT2AMEN1NLRP3CA12CA2
SCHEMBL11973878 0.96 KMT2A (0.47) KMT2AMEN1NLRP3CA12CA2
SCHEMBL11973371 0.96 KMT2A (0.47) KMT2AMEN1NLRP3CA12CA2
Ethane SCHEMBL7405342 0.96 KMT2A (0.47) KMT2AMEN1NLRP3CA12CA2
SCHEMBL14067916 0.86 ALDH1A1 (0.53) ALDH1A1TSHRHTTSMN1; SMN2RAB9A
SCHEMBL1547824 0.84 KMT2A (0.49) KMT2AMEN1NLRP3CA12CA2
Hydrochloric Acid SCHEMBL7661504 0.83 KMT2A (0.45) KMT2AMEN1NLRP3CA12CA2
Hydrochloric Acid SCHEMBL1961276 0.83 CA2 (0.42) KMT2AMEN1NLRP3CA12CA2
Hydrochloric Acid SCHEMBL19555432 0.82 ALDH1A1 (0.44) ALDH1A1TSHRHTTCYP3A4SMN1; SMN2
Hydrochloric Acid SCHEMBL3907034 0.82 CHRM5 (0.45) KMT2ACA12CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11478457-B2 Castration-resistant prostate cancer NUTECH VENTURES (US) 2022-10-25 US disclosed
US-20110190302-A1 Aryl-Phenyl-Sulfonamide-Phenylene Compounds and Their Use PIMCO 2664 LIMITED (GB) 2011-08-04 US disclosed
EP-2349990-A1 ARYL-PHENYL-SULFONAMIDE-PHENYLENE COMPOUNDS AND THEIR USE Pimco 2664 Limited (GB) 2011-08-03 EP disclosed
US-7160902-B2 Amide derivatives and methods of their use ADOLOR CORPORATION (US) 2007-01-09 US disclosed
WO-2005049564-A1 AMIDE DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2005-06-02 WO disclosed
US-20050107355-A1 Amide derivatives and methods of their use CUBIST PHARMACEUTICALS, INC. 2005-05-19 US disclosed
US-5245046-A α-amino-indole-3-acetic acids useful as anti-diabetic, anti-obesity and anti-atherosclerotic agents THE UPJOHN COMPANY (US) 1993-09-14 US disclosed
US-5128346-A Cholecystokinin antagonists ABBOTT LABORATORIES (US) 1992-07-07 US disclosed
US-4971978-A CHOLECYSTOKININ ANTAGONIST, ANALGESICS, CNS, ANALGESICS, AMIDE DERIVATIVES OF QUINOLINE ABBOTT LABORATORIES 1990-11-20 US disclosed
EP-0375133-A1 Alpha-amino-indole-3-acetic acids useful as anti-diabetic, anti-obesity and anti-atherosclerotic agents THE UPJOHN COMPANY (US) 1990-06-27 EP disclosed
WO-1990005721-A1 ALPHA-AMINO-INDOLE-3-ACETIC ACIDS USEFUL AS ANTI-DIABETIC, ANTI-OBESITY AND ANTI-ATHEROSCLEROTIC AGENTS THE UPJOHN COMPANY (US) 1990-05-31 WO disclosed
EP-0308885-A1 Derivatives of d-glutamic acid and d-aspartic acid ABBOTT LABORATORIES (US) 1989-03-29 EP disclosed
WO-1989002431-A1 DERIVATIVES OF D-GLUTAMIC ACID AND D-ASPARTIC ACID ABBOTT LABORATORIES (US) 1989-03-23 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-11478457-B2 Castration-resistant prostate cancer UGDH, G6PD, DPYD CA2 3829/4885GLA 357/4885OPRM1 3026/4885
US-20050107355-A1 Amide derivatives and methods of their use HRH2, SLC10A2, ALPI CA2 1342/4885GLA 785/4885OPRM1 47/4885
US-20110190302-A1 Aryl-Phenyl-Sulfonamide-Phenylene Compounds and Their Use SOST, PSAP, ARSA CA2 2774/4885GLA 1180/4885OPRM1 4144/4885

“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.