Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3500893

CC(=O)NCCN(N)C(=N)N.Cl

nearest known ligand 0.40

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 18)

geneUniProtsupporting neighboursconfidence
ADRA1A known ✓ P35348 1/20 0.33
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
MTNR1A P48039 7/20 0.40
MTNR1B P49286 7/20 0.40
PAOX Q6QHF9 3/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.36
BLM P54132 2/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
THRB P10828 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.32
PMP22 Q01453 1/20 0.32
F13A1 P00488 1/20 0.31

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 SCHEMBL7610282 0.98 KDM4E (0.39) KDM4EMAPK1HIF1AMTNR1AMTNR1B
SCHEMBL7610185 0.98 KDM4E (0.41) KDM4EMAPK1HIF1AMTNR1AMTNR1B
Bromide SCHEMBL7611201 0.96 KDM4E (0.40) KDM4EMAPK1HIF1AMTNR1AMTNR1B
Hydrochloric Acid SCHEMBL7612933 0.89 KDM4E (0.47) KDM4EMAPK1HIF1AMTNR1AMTNR1B
SCHEMBL7613702 0.87 KDM4E (0.48) KDM4EMAPK1HIF1AMTNR1AMTNR1B
SCHEMBL7615499 0.85 HIF1A (0.52) KDM4EMAPK1HIF1AMTNR1AMTNR1B
Bromide SCHEMBL7613738 0.85 KDM4E (0.47) KDM4EMAPK1HIF1AMTNR1AMTNR1B
Bromide SCHEMBL7619298 0.84 HIF1A (0.50) KDM4EMAPK1HIF1AMTNR1AMTNR1B
Hydrochloric Acid SCHEMBL11409292 0.71 GRIN2D (0.30) ALDH1A1
Hydrochloric Acid SCHEMBL21197516 0.70 MAPK1 (0.50) KDM4EMAPK1HIF1AMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152125-A1 Compositions And Methods For The Diagnosis, Treatment, And Prevention Of Amyotrophic Lateral Sclerosis And Related Neurological Diseases BRANDEIS UNIVERSITY (US) 2010-06-17 US claimed
EP-2139460-A1 COMPOSITIONS AND METHODS FOR THE DIAGNOSIS, TREATMENT, AND PREVENTION OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED NEUROLOGICAL DISEASES Brandeis University (US) 2010-01-06 EP claimed
WO-2008116092-A1 COMPOSITIONS AND METHODS FOR THE DIAGNOSIS, TREATMENT, AND PREVENTION OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED NEUROLOGICAL DISEASES BRANDEIS UNIVERSITY (US) 2008-09-25 WO claimed
EP-0888293-B1 N-ACYLAMINOALKYLHYDRAZINECARBOXIMIDAMIDES ALTEON INC (US) 2002-03-27 EP claimed
US-5877217-A INHIBITING THE FORMATION OF ADVANCED GLYCOSYLATION ENDPRODUCTS OF TARGET PROTEINS. INHIBITING THE DISCOLORATION OF TEETH. ALTEON INC. (US) 1999-03-02 US claimed
EP-0888293-A1 N-ACYLAMINOALKYLHYDRAZINECARBOXIMIDAMIDES ALTEON, INC. (US) 1999-01-07 EP claimed
WO-1997023447-A1 N-ACYLAMINOALKYLHYDRAZINECARBOXIMIDAMIDES ALTEON INC. (US) 1997-07-03 WO claimed
EP-3085367-A2 COMPOSITIONS FOR THE DIAGNOSIS, TREATMENT, AND PREVENTION OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED Brandeis University (US) 2016-10-26 EP disclosed
US-8609649-B2 Compositions and methods for the diagnosis, treatment, and prevention of amyotrophic lateral sclerosis and related neurological diseases BRANDEIS UNIVERSITY (US) 2013-12-17 US disclosed
US-20100152125-A1 Compositions And Methods For The Diagnosis, Treatment, And Prevention Of Amyotrophic Lateral Sclerosis And Related Neurological Diseases BRANDEIS UNIVERSITY (US) 2010-06-17 US disclosed
EP-2139460-A1 COMPOSITIONS AND METHODS FOR THE DIAGNOSIS, TREATMENT, AND PREVENTION OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED NEUROLOGICAL DISEASES Brandeis University (US) 2010-01-06 EP disclosed
WO-2008116092-A1 COMPOSITIONS AND METHODS FOR THE DIAGNOSIS, TREATMENT, AND PREVENTION OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED NEUROLOGICAL DISEASES BRANDEIS UNIVERSITY (US) 2008-09-25 WO disclosed
EP-0888293-B1 N-ACYLAMINOALKYLHYDRAZINECARBOXIMIDAMIDES ALTEON INC (US) 2002-03-27 EP disclosed
US-5877217-A INHIBITING THE FORMATION OF ADVANCED GLYCOSYLATION ENDPRODUCTS OF TARGET PROTEINS. INHIBITING THE DISCOLORATION OF TEETH. ALTEON INC. (US) 1999-03-02 US disclosed
EP-0888293-A1 N-ACYLAMINOALKYLHYDRAZINECARBOXIMIDAMIDES ALTEON, INC. (US) 1999-01-07 EP disclosed
WO-1997023447-A1 N-ACYLAMINOALKYLHYDRAZINECARBOXIMIDAMIDES ALTEON INC. (US) 1997-07-03 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 (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-20100152125-A1 Compositions And Methods For The Diagnosis, Treatment, And Prevention Of Amyotrophic Lateral Sclerosis And Related Neurological Diseases SOD1, SOD3, AGER ADRA1A 4036/4885KDM4E 2386/4885MAPK1 2824/4885

“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.