SCHEMBL5202931

SCHEMBL5202931

NC=CCc1ccc[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
INCENP Q9NQS7 1/20 0.44
DAO P14920 1/20 0.39
MCL1 Q07820 1/20 0.36
NAPRT Q6XQN6 1/20 0.36
CHEK1 O14757 1/20 0.32
PARP1 P09874 2/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RECQL P46063 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL30952858 0.79 DAO (0.43) AURKAAURKBINCENPDAOMCL1
SCHEMBL2074570 0.77 DAO (0.42) AURKAAURKBINCENPDAOMCL1
SCHEMBL4317417 0.76 DAO (0.34) AURKAAURKBINCENPDAOPARP1
SCHEMBL5404670 0.75 AURKA (0.48) AURKAAURKBINCENPDAOMCL1
SCHEMBL1694688 0.74
SCHEMBL666674 0.73 MAOB (0.38)
SCHEMBL3501279 0.72
SCHEMBL5685566 0.71
SCHEMBL797191 0.71
SCHEMBL217278 0.70

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
US-20070275953-A1 2-Pyridinone Derivatives, Having Hiv Inhibiting Properties FACULTES UNIVERSITAIRES NOTRE-DAME DE LA PAIX (BE) 2007-11-29 US disclosed
US-7115608-B2 Pyridinone and pyridinethione derivatives having HIV inhibiting properties CENTRE NATIONAL DE LA RECHERCHE SCHENTIFIQUE (FR) 2006-10-03 US disclosed
EP-1318995-B1 PYRIDINONE AND PYRIDINETHIONE DERIVATIVES HAVING HIV INHIBITING PROPERTIES CENTRE NAT RECH SCIENT (FR) 2006-03-08 EP disclosed
EP-1516873-A1 2-pyridinone derivatives, having HIV inhibiting properties Facultés Universitaires Notre-Dame de la Paix (BE) 2005-03-23 EP disclosed
US-20040229847-A1 Pyridinone and pyridinethione derivatives having hiv inhibiting properties CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2004-11-18 US disclosed
EP-1318995-A2 PYRIDINONE AND PYRIDINETHIONE DERIVATIVES HAVING HIV INHIBITING PROPERTIES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2003-06-18 EP disclosed
WO-2002024650-A2 PYRIDINONE AND PYRIDINETHIONE DERIVATIVES HAVING HIV INHIBITING PROPERTIES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2002-03-28 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 (2 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-20070275953-A1 2-Pyridinone Derivatives, Having Hiv Inhibiting Properties IMPDH1, PNPO, CD4 AURKA 1356/4885AURKB 1128/4885INCENP 2995/4885
US-20040229847-A1 Pyridinone and pyridinethione derivatives having hiv inhibiting properties CYP2B6, CYP2S1, CYP2D6 AURKA 3406/4885AURKB 3563/4885INCENP 4705/4885

“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.