SCHEMBL2591544

SCHEMBL2591544

O=c1c(CCO)cccn1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
POLB P06746 5/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
MAPT P10636 2/20 0.44
RECQL P46063 2/20 0.44
MCL1 Q07820 1/20 0.44
ALDH1A1 P00352 5/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 2/20 0.41
MAPK1 P28482 1/20 0.41
SCN2A Q99250 1/20 0.40
RAB9A P51151 1/20 0.40
PLEC Q15149 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.38

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
SCHEMBL2473827 0.81 F2 (0.41) TSHRPOLBMEN1KMT2AMAPT
SCHEMBL2471712 0.80 RAB9A (0.38) TSHRPOLBMEN1KMT2AL3MBTL1
SCHEMBL2473208 0.78 GAA (0.43) POLBMEN1KMT2AL3MBTL1MAPT
SCHEMBL2475555 0.77 F2 (0.44) TSHRPOLBMEN1KMT2AMAPT
SCHEMBL2477437 0.76 TSHR (0.38) TSHRPOLBMEN1KMT2AL3MBTL1
SCHEMBL2477436 0.76 TSHR (0.38) TSHRPOLBMEN1KMT2AL3MBTL1
SCHEMBL2477288 0.75 F2 (0.44) TSHRPOLBMEN1KMT2AMAPT
SCHEMBL3833661 0.75 NPC1 (0.47) POLBMEN1KMT2AL3MBTL1MAPT
SCHEMBL3050480 0.72 TAAR1 (0.38) MEN1KMT2AMAPT
SCHEMBL85578 0.71 SCN2A (0.54) POLBMEN1KMT2AL3MBTL1MAPT

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 12 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
CN-102906071-B Method for producing substituted pyridin-2-one BAYER IP GMBH 2015-03-18 CN disclosed
CN-102906071-B Method for producing substituted pyridin-2-one BAYER IP GMBH 2015-03-18 CN 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
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
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 TSHR 2170/4885POLB 1848/4885MEN1 811/4885

“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.