SCHEMBL14007249

SCHEMBL14007249

O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(=O)n(Cc2ncon2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.56
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TPSAB1 Q15661 1/20 0.43
BRD4 O60885 1/20 0.42
BRD2 P25440 1/20 0.42
BRD3 Q15059 1/20 0.42
BRDT Q58F21 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL14007274 0.79 EPHX2 (0.62) EPHX2MAPTALDH1A1SMN1; SMN2CYP2C9
SCHEMBL14034441 0.78 EPHX2 (0.67) EPHX2MAPTALDH1A1SMN1; SMN2CYP2C9
SCHEMBL14034514 0.78 BRD4 (0.57) MAPTALDH1A1SMN1; SMN2BRD4BRD2
SCHEMBL4926429 0.78 BRD4 (0.40) MAPTALDH1A1SMN1; SMN2BRD4BRD2
SCHEMBL14007197 0.78 BRD4 (0.43) MAPTALDH1A1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL14007236 0.77 EPHX2 (0.72) EPHX2MAPTALDH1A1SMN1; SMN2CYP2C9
SCHEMBL14007261 0.77 EPHX2 (0.61) EPHX2MAPTALDH1A1SMN1; SMN2CYP2C9
SCHEMBL14007241 0.76 EPHX2 (0.65) EPHX2MAPTALDH1A1SMN1; SMN2CYP2C9
SCHEMBL14007252 0.76 EPHX2 (0.56) EPHX2ALDH1A1SMN1; SMN2TPSAB1MEN1
SCHEMBL14007247 0.76 EPHX2 (0.70) EPHX2MAPTALDH1A1SMN1; SMN2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280904-A1 N-Substituted Pyridinone or Pyrimidinone Compounds Useful as Soluble Epoxide Hydrolase Inhibitors ELDRUP ANNE BETTINA 2008-11-13 US disclosed
US-20080280904-A1 N-Substituted Pyridinone or Pyrimidinone Compounds Useful as Soluble Epoxide Hydrolase Inhibitors ELDRUP ANNE BETTINA 2008-11-13 US disclosed
WO-2007044491-A1 N-SUBSTITUTED PYRIDINONE OR PYRIMIDINONE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-19 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-20080280904-A1 N-Substituted Pyridinone or Pyrimidinone Compounds Useful as Soluble Epoxide Hydrolase Inhibitors EPHX1, EPHX2, DOHH EPHX2 2/4885MAPT 4662/4885ALDH1A1 292/4885

“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.