SCHEMBL1239152

SCHEMBL1239152

NC1Cc2ccccc2C1O

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.47
HTR2A P28223 1/20 0.45
ANPEP P15144 2/20 0.44
SIGMAR1 Q99720 2/20 0.43
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 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
SCHEMBL29808940 1.00 KDM1A (0.47) KDM1AHTR2AANPEPSIGMAR1GRIN2D
SCHEMBL1240196 1.00 KDM1A (0.47) KDM1AHTR2AANPEPSIGMAR1GRIN2D
SCHEMBL14490666 1.00 KDM1A (0.47) KDM1AHTR2AANPEPSIGMAR1GRIN2D
SCHEMBL1239150 1.00 KDM1A (0.47) KDM1AHTR2AANPEPSIGMAR1GRIN2D
SCHEMBL1134242 1.00 KDM1A (0.47) KDM1AHTR2AANPEPSIGMAR1GRIN2D
SCHEMBL1643076 1.00 KDM1A (0.47) KDM1AHTR2AANPEPSIGMAR1GRIN2D
SCHEMBL8309860 1.00 KDM1A (0.47) KDM1AHTR2AANPEPSIGMAR1GRIN2D
SCHEMBL29809038 1.00 KDM1A (0.47) KDM1AHTR2AANPEPSIGMAR1GRIN2D
SCHEMBL6767234 1.00 KDM1A (0.47) KDM1AHTR2AANPEPSIGMAR1GRIN2D
SCHEMBL1239149 1.00 KDM1A (0.47) KDM1AHTR2AANPEPSIGMAR1GRIN2D

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 181 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110255694-A A kind of method of artificial synthesized redox mediators activation potassium permanganate degradation organic pollutants 重庆大学 2019-09-20 CN claimed
US-9376447-B2 Transfer hydrogenation of cyclopamine analogs INFINITY PHARMACEUTICALS, INC. (US) 2016-06-28 US claimed
EP-2346848-B1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2013-02-27 EP claimed
US-8318749-B2 Quinazoline derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-11-27 US claimed
CN-1659154-B Process for the preparation of amine stereoisomers APSINTERM LLC 2012-05-30 CN claimed
US-8188093-B2 Pyrazinecarboxamide derivatives as HDL-cholesterol raising agents HOFFMANN-LA ROCHE INC. (US) 2012-05-29 US claimed
EP-2450350-A1 3-Pyridinecarboxamide and 2-pyrazinecarboxamide derivatives as HDL-cholesterol raising agents F. Hoffmann-La Roche AG (CH) 2012-05-09 EP claimed
US-20100267745-A1 3-Pyridinecarboxamide Derivatives as HDL-Cholesterol Raising Agents ANDJELKOVIC MIRJANA 2010-10-21 US claimed
US-20100125078-A1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-05-20 US claimed
EP-2074096-A1 3-PYRIDINECARBOXAMIDE AND 2-PYRAZINECARBOXAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2009-07-01 EP claimed
US-20050165240-A1 Method of preparing amine stereoisomers APSINTERM, LLC 2005-07-28 US claimed
EP-1497272-A2 METHOD OF PREPARING AMINE STEREOISOMERS Apsinterm, LLC. (US) 2005-01-19 EP claimed
JP-3547432-B2 2004-07-28 JP claimed
WO-2003091207-A2 METHOD OF PREPARING AMINE STEREOISOMERS APSINTERM, LLC. (US) 2003-11-06 WO claimed
US-6184241-B1 Aspartic protease inhibitors KANSAS STATE UNIVERSITY RESEARCH FOUNDATION 2001-02-06 US claimed
EP-0629210-B1 PEPTIDE LINKAGE UNIT COMPRISING METHYLENE PHOSPHINIC ACID SCRIPPS RESEARCH INST (US) 1998-06-10 EP claimed
US-5563121-A PHOSPHINATE METHYLENE AMMONIUM LINKAGE THE SCRIPPS RESEARCH INSTITUTE (US) 1996-10-08 US claimed
EP-0629210-A1 PEPTIDE LINKAGE UNIT COMPRISING METHYLENE PHOSPHINIC ACID THE SCRIPPS RESEARCH INSTITUTE (US) 1994-12-21 EP claimed
WO-1993014114-A1 PEPTIDE LINKAGE UNIT COMPRISING METHYLENE PHOSPHINIC ACID THE SCRIPPS RESEARCH INSTITUTE (US) 1993-07-22 WO claimed
WO-1993009134-A1 PHOSPHONAMIDATE ESTER-CONTAINING PSEUDOPEPTIDES THE SCRIPPS RESEARCH INSTITUTE (US) 1993-05-13 WO claimed

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-20100125078-A1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS SLC6A3, OPRK1, HTR3A KDM1A 3480/4885HTR2A 132/4885ANPEP 2552/4885
US-20050165240-A1 Method of preparing amine stereoisomers SRM, TST, SMOX KDM1A 1638/4885HTR2A 397/4885ANPEP 814/4885
US-20100267745-A1 3-Pyridinecarboxamide Derivatives as HDL-Cholesterol Raising Agents CETP, APOB, LDLR KDM1A 1583/4885HTR2A 1528/4885ANPEP 2199/4885

“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.