SCHEMBL2590559

SCHEMBL2590559

Cc1cc([N+](=O)[O-])cc(C)c1-n1cccc(CC(=O)O)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
PTGS2 P35354 1/20 0.42
ALDH1A1 P00352 7/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
THRB P10828 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
CCR6 P51684 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GPR35 Q9HC97 1/20 0.35
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL2594260 0.86 CYP1A2 (0.47) CYP1A2PTGS2ALDH1A1MAPTMEN1
SCHEMBL2471712 0.85 RAB9A (0.38) ALDH1A1MAPTMEN1KMT2ATHRB
SCHEMBL14924785 0.84 PTGS2 (0.48) PTGS2MAPTLMNAHPGDSMN1; SMN2
SCHEMBL3644238 0.79 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL15929085 0.78 MAPT (0.36) PTGS2ALDH1A1MAPTMEN1KMT2A
SCHEMBL2473570 0.77 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL2594464 0.76 GAA (0.47) CYP1A2ALDH1A1MAPTMEN1KMT2A
SCHEMBL27909201 0.76 RECQL (0.45) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL12179475 0.75 CYP1A2 (0.43) CYP1A2PTGS2ALDH1A1MAPTMEN1
SCHEMBL12179486 0.74 ALDH1A1 (0.39) ALDH1A1MAPTMEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563762-B1 METHOD FOR PRODUCING SUBSTITUTED PYRIDIN-2-ONE BAYER IP GMBH (DE) 2015-07-22 EP disclosed
US-8802860-B2 Method for producing substituted pyridin-2-one BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-12 US disclosed
US-8802860-B2 Method for producing substituted pyridin-2-one BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-12 US disclosed
US-20130116443-A1 METHOD FOR PRODUCING SUBSTITUTED PYRIDIN-2-ONE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-09 US disclosed
US-20130116443-A1 METHOD FOR PRODUCING SUBSTITUTED PYRIDIN-2-ONE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-09 US disclosed
EP-2563762-A1 METHOD FOR PRODUCING SUBSTITUTED PYRIDIN-2-ONE Bayer Intellectual Property GmbH (DE) 2013-03-06 EP disclosed
CN-102906071-A Method for producing substituted pyridin-2-one Bayer Pharma AG 2013-01-30 CN disclosed
WO-2011134963-A1 METHOD FOR PRODUCING SUBSTITUTED PYRIDIN-2-ONE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-03 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-20130116443-A1 METHOD FOR PRODUCING SUBSTITUTED PYRIDIN-2-ONE PNPO, CYP4B1, DPYD CYP1A2 6/4885PTGS2 136/4885ALDH1A1 488/4885

“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.