Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2012826

CC(=O)COc1ccc(N)cc1.Cl

nearest known ligand 0.52

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
MAOB known ✓ P27338 2/20 0.42
GAA known ✓ P10253 1/20 0.41
MAOA known ✓ P21397 1/20 0.41
TDP1 Q9NUW8 5/20 0.52
TSHR P16473 1/20 0.52
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP3A4 P08684 1/20 0.45
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 2/20 0.41
PARP10 Q53GL7 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
SCHEMBL6684430 0.98 TDP1 (0.54) TDP1TSHRRAB9ASMN1; SMN2NPC1
SCHEMBL2955123 0.87 HPGD (0.50) RAB9ASMN1; SMN2ALDH1A1KDM4ECYP1A2
SCHEMBL11577395 0.83 TDP1 (0.47) TDP1TSHRRAB9ASMN1; SMN2NPC1
SCHEMBL29158551 0.82 TDP1 (0.46) TDP1TSHRRAB9ASMN1; SMN2NPC1
Calcium SCHEMBL30753806 0.82 TDP1 (0.46) TDP1TSHRRAB9ASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL830710 0.82 ALOX15 (0.63) TDP1TSHRRAB9ASMN1; SMN2ALDH1A1
SCHEMBL9811886 0.82 MEN1 (0.50) TDP1RAB9ATP53ALDH1A1KDM4E
SCHEMBL17676526 0.81 TDP1 (0.52) TDP1TSHRRAB9ASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL7327250 0.81 PTGS2 (0.55) TDP1TSHRRAB9ASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL11684149 0.80 TDP1 (0.47) TDP1TSHRRAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109608355-A A kind of synthesis technology of 2- amino -4- acetyl-anisidine 浙江闰土新材料有限公司 2019-04-12 CN disclosed
US-20140378668-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions SCRIPPS RESEARCH INST (US) 2014-12-25 US disclosed
US-8765920-B2 Tyrosine bioconjugation through aqueous Ene-like reactions THE SCRIPPS RESEARCH INSTITUTE (US) 2014-07-01 US disclosed
US-20120289682-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions THE SCRIPPS RESEARCH INSTITUTE 2012-11-15 US disclosed
EP-2515914-A1 TYROSINE BIOCONJUGATION THROUGH AQUEOUS ENE-LIKE REACTIONS The Scripps Research Institute (US) 2012-10-31 EP disclosed
WO-2011079315-A1 TYROSINE BIOCONJUGATION THROUGH AQUEOUS ENE-LIKE REACTIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-30 WO disclosed
US-5977374-A 5-(4-hydroxy-OR 4-acetoxy-benzyl)-3- triphenylmethylthiazolidine-2,4-dione and method for producing same SANKYO COMPANY, LIMITED (JP) 1999-11-02 US disclosed
EP-0590793-B1 Oxazolidine derivatives having anti-diabetic and anti-obesity properties, their preparation and their therapeutic uses SANKYO CO (JP) 1999-10-13 EP disclosed
US-5635534-A 1-PHENYL-2-(2-PHENYLOXY OR THIO)-1-METHYLETHYL)AMINOETHANOL DERIVATIVES; ALDOSE REDUCTASE INHIBITORS; NONTOXIC; ANTIDIABETIC,-OBESITY,-LIPEMIC AND HYPOGLYCEMIC AGENTS SANKYO COMPANY, LIMITED (JP) 1997-06-03 US disclosed
US-5576340-A Aromatic amino-alcohol derivatives having anti-diabetic and anti-obesity properties, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 1996-11-19 US disclosed
EP-0543662-B1 Aromatic amino-alcohol derivatives having anti-diabetic and anti-obesity properties, their preparation and their therapeutic uses SANKYO CO (JP) 1996-09-18 EP disclosed
US-5436257-A Low toxicity SANKYO COMPANY, LIMITED (JP) 1995-07-25 US disclosed
EP-0590793-A1 Oxazolidine derivatives having anti-diabetic and anti-obesity properties, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1994-04-06 EP disclosed
EP-0543662-A2 Aromatic amino-alcohol derivatives having anti-diabetic and anti-obesity properties, their preparation and their therapeutic uses Sankyo Company Limited (JP) 1993-05-26 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 (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-20140378668-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions TYR, DNPEP, TH MAOB 230/4885GAA 410/4885MAOA 438/4885
US-20120289682-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions TYR, DNPEP, TH MAOB 230/4885GAA 410/4885MAOA 438/4885

“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.