Hydrochloric Acid

Hydrochloric Acid

SCHEMBL855505

Cc1ccc(NN)c(Cl)c1.Cl

nearest known ligand 0.48

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 0.48
GAA known ✓ P10253 3/20 0.41
CA1 P00915 1/20 0.48
CA9 Q16790 1/20 0.48
RAB9A P51151 3/20 0.45
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 2/20 0.39
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37

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
SCHEMBL2137896 0.98 CA1 (0.50) CA1CA2CA9RAB9AMEN1
Hydrochloric Acid SCHEMBL3619887 0.83 ALDH1A1 (0.48) CA1CA2CA9RAB9AMEN1
SCHEMBL3231268 0.80 ALDH1A1 (0.50) CA1CA2CA9RAB9AMEN1
Hydrochloric Acid SCHEMBL1584706 0.78 CA1 (0.48) CA1CA2CA9RAB9AMEN1
SCHEMBL5768693 0.77 RAB9A (0.47) RAB9AMEN1KMT2AGAAHTT
Hydrochloric Acid SCHEMBL182337 0.77 CA1 (0.52) CA1CA2CA9RAB9AGAA
Hydrochloric Acid SCHEMBL30977785 0.77 RAPGEF4 (0.54) RAB9AMEN1KMT2AGAAHTT
Hydrochloric Acid SCHEMBL29502175 0.77 CA1 (0.52) CA1CA2CA9RAB9AGAA
Hydrochloric Acid SCHEMBL1012671 0.77 RAPGEF4 (0.54) RAB9AMEN1KMT2AGAAHTT
Hydrochloric Acid SCHEMBL10966999 0.76 CA1 (0.50) CA1CA2CA9RAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548854-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2023-01-10 US disclosed
US-11332448-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2022-05-17 US disclosed
CN-113243374-B Heterocyclic compounds as pesticides 拜耳农作物科学股份公司 2022-04-26 CN disclosed
CN-113243374-A Heterocyclic compounds as pesticides 拜耳农作物科学股份公司 2021-08-13 CN disclosed
CN-108477173-B Heterocyclic compounds as pesticides 拜耳农作物科学股份公司 2021-07-02 CN disclosed
US-10961201-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2021-03-30 US disclosed
US-20210053924-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2021-02-25 US disclosed
US-20210017136-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2021-01-21 US disclosed
US-10689348-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2020-06-23 US disclosed
US-10435374-B2 Heterocyclic compounds as pesticides BAYER CROPSCIENCE AG (DE) 2019-10-08 US disclosed
US-6943165-B2 Compound and method for the treatment of pain ASTRAZENECA AB (SE) 2005-09-13 US disclosed
US-20050101603-A1 Compound and method for the treatment of pain APPLIED ENERGETICS, INC. 2005-05-12 US disclosed
EP-1244662-B1 PYRIDAZINO QUINOLINE DERIVATIVE AND METHOD FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2005-04-27 EP disclosed
US-20040220188-A1 Alkylidene pyrazolidinedione derivatives LABORATOIRES SERONO SA (CH) 2004-11-04 US disclosed
US-6787547-B2 7-chloro-4-hydroxy-2-(2-chloro-4-methylphenyl)-1,2,5,10 -tetrahydropyridazino(4,5-b)quinoline-1,10-dione; antagonist of N-methyl-d-aspartate (NMDA) receptor; binding to the NMDA receptor glycine site; neuropathic pain; analgesic ASTRAZENECA AB (SE) 2004-09-07 US disclosed
EP-1399156-A2 ALKYLIDENE PIRAZOLIDINEDIONE DERIVATIVES AND THEIR USE FOR TREATING DIABETES AND OBESITY Applied Research Systems ARS Holding N.V. (AN) 2004-03-24 EP disclosed
US-20030149042-A1 Compound and method for the treatment of pain BARE THOMAS MICHAEL (US) 2003-08-07 US disclosed
WO-2002102359-A2 ALKYLIDENE PYRAZOLIDINEDIONE DERIVATIVES AND USE FOR TREATING DIABETES AND OBESITY APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2002-12-27 WO disclosed
EP-1244662-A1 COMPOUND AND METHOD FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2002-10-02 EP disclosed
WO-2001047927-A1 COMPOUND AND METHOD FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2001-07-05 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 (10 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-10435374-B2 Heterocyclic compounds as pesticides DDT, ACHE, PTMS CA2 3132/4885GAA 2146/4885CA1 3024/4885
US-10961201-B2 Heterocyclic compounds as pesticides DDT, ACHE, PTMS CA2 3132/4885GAA 2146/4885CA1 3024/4885
US-20030149042-A1 Compound and method for the treatment of pain HTR4, QDPR, ACHE CA2 1404/4885GAA 1888/4885CA1 1789/4885
US-10689348-B2 Heterocyclic compounds as pesticides DDT, ACHE, PTMS CA2 3132/4885GAA 2146/4885CA1 3024/4885
US-20040220188-A1 Alkylidene pyrazolidinedione derivatives G6PC1, PPM1D, PTPRS CA2 4540/4885GAA 3191/4885CA1 4776/4885
US-11548854-B2 Heterocyclic compounds as pesticides DDT, ACHE, PTMS CA2 3132/4885GAA 2146/4885CA1 3024/4885
US-20210053924-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS CA2 3132/4885GAA 2146/4885CA1 3024/4885
US-11332448-B2 Heterocyclic compounds as pesticides DDT, ACHE, PTMS CA2 3132/4885GAA 2146/4885CA1 3024/4885
US-20210017136-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS CA2 3132/4885GAA 2146/4885CA1 3024/4885
US-20050101603-A1 Compound and method for the treatment of pain ACHE, OPRK1, OPRL1 CA2 711/4885GAA 1995/4885CA1 1158/4885

“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.