SCHEMBL2594464

SCHEMBL2594464

COc1cc([N+](=O)[O-])ccc1-n1cccc(CC(=O)O)c1=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
LMNA P02545 3/20 0.45
CYP1A2 P05177 1/20 0.44
AMY1A P0DUB6 1/20 0.43
MAPT P10636 6/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 3/20 0.43
HTT P42858 3/20 0.41
PKM P14618 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL2473208 0.87 GAA (0.43) GAALMNACYP1A2MAPTKMT2A
SCHEMBL12179475 0.86 CYP1A2 (0.43) GAALMNACYP1A2AMY1AMAPT
SCHEMBL2594260 0.85 CYP1A2 (0.47) CYP1A2MAPTKMT2AALDH1A1MEN1
SCHEMBL3681334 0.84 HTT (0.43) GAALMNACYP1A2MAPTKMT2A
SCHEMBL14924778 0.83 PTGS2 (0.42) GAALMNAMAPTKMT2AALDH1A1
SCHEMBL15929082 0.80 HTT (0.41) LMNAMAPTKMT2AALDH1A1MEN1
SCHEMBL15929083 0.80 HTT (0.41) LMNAMAPTKMT2AALDH1A1MEN1
SCHEMBL16919028 0.80 PTGS2 (0.40) GAACYP1A2MAPTKMT2AALDH1A1
SCHEMBL2477846 0.79 HTT (0.47) LMNAAMY1AMAPTKMT2AALDH1A1
SCHEMBL2474449 0.78 MAPT (0.39) GAALMNACYP1A2MAPTKMT2A

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 7 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
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 GAA 1429/4885LMNA 1370/4885CYP1A2 6/4885

“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.