SCHEMBL2637802

SCHEMBL2637802

c1cccc2ccc-2cc1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.90
TAAR1 Q96RJ0 2/20 0.67
MAPK1 P28482 2/20 0.67
CYP1A2 P05177 2/20 0.67
CYP3A4 P08684 1/20 0.67
HSD17B10 Q99714 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
MMP3 P08254 1/20 0.67
BCL2L1 Q07817 1/20 0.67
NOTUM Q6P988 1/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
MGLL Q99685 1/20 0.56
KIF11 P52732 1/20 0.56
ALOX5 P09917 1/20 0.53
ATM Q13315 1/20 0.50
SLC22A2 O15244 1/20 0.50
SLC22A1 O15245 1/20 0.50
SLC22A3 O75751 1/20 0.50
SLC6A4 P31645 1/20 0.50

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
Tannin Pyrogallol SCHEMBL3486430 1.00 ALDH1A1 (0.90) ALDH1A1TAAR1MAPK1CYP1A2CYP3A4
SCHEMBL29713847 1.00 ALDH1A1 (0.90) ALDH1A1TAAR1MAPK1CYP1A2CYP3A4
Tannin Pyrogallol SCHEMBL11689471 1.00 ALDH1A1 (0.90) ALDH1A1TAAR1MAPK1CYP1A2CYP3A4
SCHEMBL18674172 1.00 ALDH1A1 (0.90) ALDH1A1TAAR1MAPK1CYP1A2CYP3A4
Biphenyl SCHEMBL895675 1.00 ALDH1A1 (0.90) ALDH1A1TAAR1MAPK1CYP1A2CYP3A4
Tannin Pyrogallol SCHEMBL21448 1.00 ALDH1A1 (0.90) ALDH1A1TAAR1MAPK1CYP1A2CYP3A4
SCHEMBL1991754 1.00 ALDH1A1 (0.90) ALDH1A1TAAR1MAPK1CYP1A2CYP3A4
SCHEMBL143471 1.00 ALDH1A1 (0.90) ALDH1A1TAAR1MAPK1CYP1A2CYP3A4
SCHEMBL827097 1.00 ALDH1A1 (0.90) ALDH1A1TAAR1MAPK1CYP1A2CYP3A4
Tannin Pyrogallol SCHEMBL27699073 1.00 ALDH1A1 (0.90) ALDH1A1TAAR1MAPK1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2160387-B1 HETEROARYLAMIDE PYRIMIDONE COMPOUNDS SANOFI SA (FR) 2014-05-14 EP disclosed
US-8598175-B2 Heteroarylamide pyrimidone derivatives SANOFI (FR) 2013-12-03 US disclosed
US-8592437-B2 Heteroarylamide pyrimidone compounds SANOFI (FR) 2013-11-26 US disclosed
EP-2162443-B1 HETEROARYLAMIDE-SUBSTITUTED PYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SANOFI SA (FR) 2013-07-31 EP disclosed
US-20130001081-A1 Colorimetric or electrochemical mercury and trace metal detector DAVIS JOHN PERRIN (US) 2013-01-03 US disclosed
US-8198287-B2 Substituted heteroaryl pyridopyrimidone derivatives SANOFI-AVENTIS (FR) 2012-06-12 US disclosed
WO-2011142777-A1 CYCLOOCTATETRAENE-BASED CATHODE FOR ELECTROCHEMICAL CELLS PDB POWER SYSTEMS, LLC (US) 2011-11-17 WO disclosed
US-20100087449-A1 HETEROARYLAMIDE PYRIMIDONE COMPOUNDS SANOFI-AVENTIS (FR) 2010-04-08 US disclosed
US-20100081677-A1 HETEROARYLAMIDE PYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2010-04-01 US disclosed
EP-2162443-A2 HETEROARYLAMIDE-SUBSTITUTED PYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES Sanofi-Aventis (FR) 2010-03-17 EP disclosed
EP-2160387-A2 HETEROARYLAMIDE PYRIMIDONE COMPOUNDS Sanofi-Aventis (FR) 2010-03-10 EP disclosed
US-20090306088-A1 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-12-10 US disclosed
EP-2121635-A2 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES Sanofi-Aventis (FR) 2009-11-25 EP disclosed
WO-2008155666-A2 HETEROARYLAMIDE-SUBSTITUTED PYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SANOFI-AVENTIS (FR) 2008-12-24 WO disclosed
WO-2008155668-A2 HETEROARYLAMIDE PYRIMIDONE COMPOUNDS SANOFI-AVENTIS (FR) 2008-12-24 WO disclosed
EP-1992624-A1 Heteroarylamide pyrimidone compounds Sanofi-Aventis (FR) 2008-11-19 EP disclosed
EP-1992621-A1 Heteroarylamide-substituted pyrimidone derivatives for the treatment of neurodegenerative diseases Sanofi-Aventis (FR) 2008-11-19 EP disclosed
WO-2008078196-A2 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 WO disclosed
EP-1939187-A1 Substituted heteroaryl pyridopyrimidone derivatives Sanofi-Aventis (FR) 2008-07-02 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 (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-20090306088-A1 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES GSK3B, GSK3A, GSKIP ALDH1A1 1709/4885TAAR1 4132/4885MAPK1 829/4885
US-20100087449-A1 HETEROARYLAMIDE PYRIMIDONE COMPOUNDS DHFR, DPYD, HPRT1 ALDH1A1 281/4885TAAR1 1344/4885MAPK1 2410/4885
US-20100081677-A1 HETEROARYLAMIDE PYRIMIDONE DERIVATIVES DHFR, DPYD, HPRT1 ALDH1A1 270/4885TAAR1 1322/4885MAPK1 2439/4885

“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.