Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1612682

CN(C)CCNC(=O)CCl.Cl

nearest known ligand 0.53

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 2/20 0.43
DNM1 Q05193 2/20 0.53
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CA1 P00915 2/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
MAPK1 P28482 1/20 0.42
LGALS1 P09382 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ACKR3 P25106 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.39
HTT P42858 1/20 0.39
PRMT3 O60678 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT1 Q99873 1/20 0.39
PRMT8 Q9NR22 1/20 0.39

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
SCHEMBL873911 0.98 DNM1 (0.55) DNM1ALDH1A1SMN1; SMN2CA1CA2
SCHEMBL11026757 0.84 ALDH1A1 (0.60) DNM1ALDH1A1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL21197510 0.82 DNM1 (0.58) DNM1ALDH1A1CA1CA2CA12
SCHEMBL13584322 0.81 DNM1 (0.57) DNM1ALDH1A1SMN1; SMN2CA1CA2
Hydrochloric Acid SCHEMBL56355 0.80 DNM1 (0.52) DNM1ALDH1A1SMN1; SMN2CA1CA2
SCHEMBL47678 0.79 DNM1 (0.60) DNM1ALDH1A1CA1CA2CA12
SCHEMBL1456344 0.79 DNM1 (0.60) DNM1ALDH1A1CA1CA2CA12
SCHEMBL1387314 0.79 DNM1 (0.55) DNM1ALDH1A1SMN1; SMN2CA1CA2
SCHEMBL1387313 0.79 DNM1 (0.55) DNM1ALDH1A1SMN1; SMN2CA1CA2
Hydrochloric Acid SCHEMBL5041929 0.78 CYP3A4 (0.50) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1976934-B Alkyl substituted indoloquinoxalines OXYPHARMA AB 2013-05-29 CN disclosed
US-8084453-B2 Alkyl substituted indoloquinoxalines OXYPHARMA AB (SE) 2011-12-27 US disclosed
US-20110086859-A9 ALKYL SUBSTITUTED INDOLOQUINOXALINES OXYPHARMA AB (SE) 2011-04-14 US disclosed
EP-1756111-B1 ALKYL SUBSTITUTED INDOLOQUINOXALINES OXYPHARMA AB (SE) 2010-03-31 EP disclosed
US-20100009999-A1 ALKYL SUBSTITUTED INDOLOQUINOXALINES OXYPHARMA AB (SE) 2010-01-14 US disclosed
US-7589093-B2 2,3-Dimethylindolo[2,3-b]quinoxaline-6-yl-acetamide; 9-Chloro-2,3-dimethyl-6-(aminoethylamino-2-oxoethyl)-6H-indolo[2,3-b]quinoxaline; autoimmune diseases OXYPHARMA AB (SE) 2009-09-15 US disclosed
CN-1976934-A Alkyl substituted indoloquinoxalines OXYPHARMA AB (SE) 2007-06-06 CN disclosed
EP-1756111-A1 ALKYL SUBSTITUTED INDOLOQUINOXALINES Oxypharma AB (SE) 2007-02-28 EP disclosed
US-20050288296-A1 Alkyl substituted indoloquinoxalines CYXONE AB, 559020-5471 (SE) 2005-12-29 US disclosed
WO-2005123741-A1 ALKYL SUBSTITUTED INDOLOQUINOXALINES OXYPHARMA AB (SE) 2005-12-29 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-20110086859-A9 ALKYL SUBSTITUTED INDOLOQUINOXALINES HRH4, HRH3, NR4A1 CA2 1848/4885DNM1 2887/4885ALDH1A1 3537/4885
US-20100009999-A1 ALKYL SUBSTITUTED INDOLOQUINOXALINES HRH4, HRH3, NR4A1 CA2 1848/4885DNM1 2887/4885ALDH1A1 3537/4885
US-20050288296-A1 Alkyl substituted indoloquinoxalines HRH4, HRH3, NR4A1 CA2 1848/4885DNM1 2887/4885ALDH1A1 3537/4885

“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.