Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7109813

Cl.NC(=NOCc1ccccc1)NC(=O)c1cccc2ccccc12

nearest known ligand 0.61

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
SCN5A known ✓ Q14524 1/20 0.61
SCN2A known ✓ Q99250 1/20 0.61
HDAC8 known ✓ Q9BY41 1/20 0.46
HSP90AA1 known ✓ P07900 1/20 0.43
DRD4 known ✓ P21917 1/20 0.42
KDM4E B2RXH2 4/20 0.52
HPGD P15428 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 4/20 0.46
MMP3 P08254 1/20 0.46
PLK1 P53350 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
ALOX12 P18054 1/20 0.44
NSD2 O96028 1/20 0.43
DEGS1 O15121 1/20 0.43

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
SCHEMBL7110564 0.99 SCN5A (0.62) SCN5ASCN2AKDM4EHPGDL3MBTL1
Hydrochloric Acid SCHEMBL7799624 0.88 SCN5A (0.48) SCN5ASCN2AKDM4EHPGDL3MBTL1
Dimethylamine SCHEMBL7110343 0.88 SCN2A (0.48) SCN5ASCN2AKDM4EHPGDL3MBTL1
Dimethylamine SCHEMBL7115548 0.87 SCN2A (0.50) SCN5ASCN2AKDM4EHPGDL3MBTL1
Dimethylamine SCHEMBL7114875 0.87 SCN2A (0.50) SCN5ASCN2AKDM4EHPGDL3MBTL1
Hydrochloric Acid SCHEMBL7110340 0.87 SCN5A (0.47) SCN5ASCN2AKDM4EHPGDL3MBTL1
SCHEMBL7115544 0.86 SCN5A (0.49) SCN5ASCN2AKDM4EHPGDL3MBTL1
Hydrochloric Acid SCHEMBL7114872 0.86 SCN5A (0.49) SCN5ASCN2AKDM4EHPGDL3MBTL1
Dimethylamine SCHEMBL7110337 0.85 SCN2A (0.51) SCN5ASCN2AKDM4EHPGDL3MBTL1
Hydrochloric Acid SCHEMBL7113127 0.85 SCN2A (0.52) SCN5ASCN2AKDM4EHPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6600072-B2 Cardiovascular disorders; antiischemic agents; antiarrhythmia agents AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-07-29 US claimed
US-20030013760-A1 Substituted 1-naphthoylguanidines, process for their preparation, their use as a medicament or diagnostic, and medicament containing them BRENDEL JOACHIM (DE) 2003-01-16 US claimed
US-6600072-B2 Cardiovascular disorders; antiischemic agents; antiarrhythmia agents AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-07-29 US disclosed
US-20030013760-A1 Substituted 1-naphthoylguanidines, process for their preparation, their use as a medicament or diagnostic, and medicament containing them BRENDEL JOACHIM (DE) 2003-01-16 US disclosed
EP-0810205-B1 Substituted 1-naphtoylguanidines, process for their preparation, their use as medicament or diagnostic agent and medicaments containing them HOECHST AG (DE) 2001-03-28 EP disclosed
EP-0810205-A1 Substituted 1-naphtoylguanidines, process for their preparation, their use as medicament or diagnostic agent and medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-03 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 (1 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-20030013760-A1 Substituted 1-naphthoylguanidines, process for their preparation, their use as a medicament or diagnostic, and medicament containing them TNNI3, TNNT2, SCN1B SCN5A 50/4885SCN2A 37/4885HDAC8 3830/4885

“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.