Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4170165

Cl.NC(=NO)c1cc(O)c(O)c(O)c1

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 0.41
DPP4 known ✓ P27487 1/20 0.41
GAA known ✓ P10253 2/20 0.40
RECQL P46063 3/20 0.48
KDM1A O60341 12/20 0.43
KDM4E B2RXH2 4/20 0.41
LMNA P02545 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
FUT7 Q11130 2/20 0.41
TP53 P04637 2/20 0.41
HPGD P15428 2/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 2/20 0.41
SELL P14151 2/20 0.41
SELP P16109 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA3 P07451 1/20 0.41

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
SCHEMBL18717467 0.98 RECQL (0.50) RECQLKDM1AKDM4ELMNATDP1
SCHEMBL4168968 0.98 RECQL (0.50) RECQLKDM1AKDM4ELMNATDP1
SCHEMBL4168972 0.98 RECQL (0.50) RECQLKDM1AKDM4ELMNATDP1
SCHEMBL31716495 0.79 KDM1A (0.46) RECQLKDM1ALMNAGAAL3MBTL1
Hydrochloric Acid SCHEMBL4168213 0.77 KDM1A (0.62) RECQLKDM1AKDM4ELMNAMAPT
SCHEMBL8121974 0.76 TTR (0.48) RECQLKDM1AALDH1A1HPGDMAPK1
SCHEMBL3237528 0.74 TTR (0.46) RECQLKDM1ALMNATDP1ALDH1A1
SCHEMBL12433083 0.74 KDM1A (0.65) RECQLKDM1AKDM4EMAPTCA12
SCHEMBL1338633 0.74 LMNA (0.44) RECQLKDM1AKDM4ELMNAALDH1A1
SCHEMBL18717464 0.74 KDM1A (0.65) RECQLKDM1AKDM4EMAPTCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0144396-B1 POLYHYDROXYBENZOIC ACID DERIVATIVES VAN'T RIET, Bartholomeus (US) 1991-01-02 EP claimed
EP-0144396-A4 POLYHYDROXYBENZOIC ACID DERIVATIVES. RIET BARTHOLOMEUS VAN T (US) 1986-08-21 EP claimed
EP-0144396-A1 POLYHYDROXYBENZOIC ACID DERIVATIVES. RIET BARTHOLOMEUS VAN T (US) 1985-06-19 EP claimed
WO-1984004676-A1 POLYHYDROXYBENZOIC ACID DERIVATIVES RIET BARTHOLOMEUS VAN T 1984-12-06 WO claimed
US-20170100352-A1 Methods for treating or preventing neuroinflammation or autoimmune diseases ELFORD HOWARD L (US) 2017-04-13 US disclosed
US-9526707-B2 Methods for treating or preventing neuroinflammation or autoimmune diseases ELFORD HOWARD L (US) 2016-12-27 US disclosed
EP-2030615-A2 Ribonucleotide reductase inhibitors for use in the treatment or prevention of neuroinflammatory or autoimmune diseases ELFORD, Howard L. (US) 2009-03-04 EP disclosed
US-20090047250-A1 Methods for treating or preventing neuroinflammation or autoimmune diseases ELFORD HOWARD L 2009-02-19 US disclosed
US-5350770-A Administering hydroxy benzamide derivative ELFORD HOWARD L (US) 1994-09-27 US disclosed
WO-1994002135-A1 THERAPEUTIC PROCESS FOR THE TREATMENT OF SEPTIC SHOCK ELFORD HOWARD L (US) 1994-02-03 WO disclosed
US-5183828-A Ribonucleotide reductase inhibitor and free radical scavenger RIET BARTHOLOMEUS VAN T (US) 1993-02-02 US disclosed
EP-0144396-B1 POLYHYDROXYBENZOIC ACID DERIVATIVES VAN'T RIET, Bartholomeus (US) 1991-01-02 EP disclosed
US-4942253-A INHIBITORS OF RIBONUCLEOTIDE REDUCTASE, ANTITUMOR AGENTS, LEUKEMIA, FREE RADICAL SCAVENGERS RIET BARTHOLOMEUS VAN T (US) 1990-07-17 US disclosed
US-4623659-A RIBONUCLEOTIDE REDUCTASE INHIBITORS RIET BARTHOLOMEUS VAN T (US) 1986-11-18 US disclosed
EP-0144396-A4 POLYHYDROXYBENZOIC ACID DERIVATIVES. RIET BARTHOLOMEUS VAN T (US) 1986-08-21 EP disclosed
EP-0144396-A1 POLYHYDROXYBENZOIC ACID DERIVATIVES. RIET BARTHOLOMEUS VAN T (US) 1985-06-19 EP disclosed
WO-1984004676-A1 POLYHYDROXYBENZOIC ACID DERIVATIVES RIET BARTHOLOMEUS VAN T 1984-12-06 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 (2 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-20090047250-A1 Methods for treating or preventing neuroinflammation or autoimmune diseases RNASE1, RNASEH1, TXNRD3 CA2 3757/4885DPP4 1052/4885GAA 1275/4885
US-20170100352-A1 Methods for treating or preventing neuroinflammation or autoimmune diseases RNASE1, RNASEH1, TXNRD3 CA2 3757/4885DPP4 1052/4885GAA 1275/4885

“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.