Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4762906

COc1ccc(NN)c([N+](=O)[O-])c1.Cl

nearest known ligand 0.57

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
MAPT P10636 7/20 0.57
RAB9A P51151 7/20 0.57
NPC1 O15118 6/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
MAPK1 P28482 3/20 0.57
AKR1C3 P42330 3/20 0.56
AKR1C2 P52895 3/20 0.56
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KCNMA1 Q12791 1/20 0.53
LMNA P02545 1/20 0.52
AKR1B10 O60218 1/20 0.52
AKR1B1 P15121 1/20 0.52
AKR1C4 P17516 1/20 0.52
AKR1C1 Q04828 1/20 0.52
THRB P10828 1/20 0.52
CYP1A2 P05177 1/20 0.52

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
Bromide SCHEMBL20984983 0.97 MAPT (0.57) MAPTRAB9ANPC1SMN1; SMN2MAPK1
Nitric Acid SCHEMBL20984532 0.94 RAB9A (0.58) MAPTRAB9ANPC1SMN1; SMN2MAPK1
Oxalic Acid SCHEMBL20984281 0.91 RAB9A (0.62) MAPTRAB9ANPC1SMN1; SMN2MAPK1
Sulfuric Acid SCHEMBL20984136 0.91 RAB9A (0.55) MAPTRAB9ANPC1SMN1; SMN2MAPK1
Phosphoric Acid SCHEMBL20984435 0.91 RAB9A (0.59) MAPTRAB9ANPC1SMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL20984395 0.87 SMN1; SMN2 (0.54) MAPTRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL16840490 0.85 SMN1; SMN2 (0.56) MAPTRAB9ANPC1SMN1; SMN2MAPK1
Bromide SCHEMBL20984702 0.84 SMN1; SMN2 (0.54) MAPTRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL430629 0.83 MAPT (0.59) MAPTRAB9ANPC1SMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL3419672 0.83 MAPT (0.60) MAPTRAB9ANPC1SMN1; SMN2MAPK1

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
US-11040938-B2 Continuous flow process for the synthesis of phenylhydrazine salts and substituted phenylhydrazine salts SHANGHAI HYBRID-CHEM TECHNOLOGIES (CN) 2021-06-22 US claimed
CN-107663161-B Continuous flow synthesis process of phenylhydrazine salt and substituted phenylhydrazine salt 上海惠和化德生物科技有限公司 2020-04-10 CN claimed
US-20190152896-A1 Continuous Flow Process For the Synthesis of Phenylhydrazine Salts and Substituted Phenylhydrazine Salts SHANGHAI HYBRID-CHEM TECHNOLOGIES (CN) 2019-05-23 US claimed
US-11040938-B2 Continuous flow process for the synthesis of phenylhydrazine salts and substituted phenylhydrazine salts SHANGHAI HYBRID-CHEM TECHNOLOGIES (CN) 2021-06-22 US disclosed
CN-107663161-B Continuous flow synthesis process of phenylhydrazine salt and substituted phenylhydrazine salt 上海惠和化德生物科技有限公司 2020-04-10 CN disclosed
US-20190152896-A1 Continuous Flow Process For the Synthesis of Phenylhydrazine Salts and Substituted Phenylhydrazine Salts SHANGHAI HYBRID-CHEM TECHNOLOGIES (CN) 2019-05-23 US disclosed
CN-107663161-A A kind of continuous stream synthesis technique of phenylhydrazine salt and substituted benzene hydrazonium salt 上海惠和化德生物科技有限公司 2018-02-06 CN disclosed
EP-1910361-A2 SUBSTITUTED TETRAHYDRO-1H-PYRIDO[4,3,B]INDOLES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS Brystol-Myers Squibb Company (US) 2008-04-16 EP disclosed
WO-2007016353-A2 SUBSTITUTED TETRAHYDRO-1H-PYRIDO[4,3,B]INDOLES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-08 WO disclosed
US-20070027178-A1 Substituted tetrahydro-1H-pyrido[4,3-b]indoles as serotonin receptors agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-02-01 US 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-20070027178-A1 Substituted tetrahydro-1H-pyrido[4,3-b]indoles as serotonin receptors agonists and antagonists HTR2B, HTR1A, HTR3B MAPT 1654/4885RAB9A 1920/4885NPC1 406/4885
US-11040938-B2 Continuous flow process for the synthesis of phenylhydrazine salts and substituted phenylhydrazine salts HPD, TYR, PDK2 MAPT 2735/4885RAB9A 3335/4885NPC1 4379/4885
US-20190152896-A1 Continuous Flow Process For the Synthesis of Phenylhydrazine Salts and Substituted Phenylhydrazine Salts HPD, TYR, PDK2 MAPT 2735/4885RAB9A 3335/4885NPC1 4379/4885

“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.