SCHEMBL14007263

SCHEMBL14007263

O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(=O)n(CCN2CCCCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.55
SCN5A Q14524 1/20 0.49
CACNA1G O43497 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
CD274 Q9NZQ7 1/20 0.45
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 1/20 0.44
CYP2J2 P51589 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL14007245 0.91 EPHX2 (0.66) EPHX2CACNA1GALDH1A1KDM4EMEN1
SCHEMBL14541712 0.83 EPHX2 (0.58) EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL14007269 0.83 EPHX2 (0.61) EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL14007267 0.82 EPHX2 (0.61) EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL14007262 0.81 EPHX2 (0.65) EPHX2ALDH1A1KDM4EHPGDCD274
SCHEMBL14007264 0.81 EPHX2 (0.63) EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL14007266 0.81 EPHX2 (0.83) EPHX2MEN1KMT2ACYP2C9CYP2C19
SCHEMBL14007265 0.81 EPHX2 (0.48) EPHX2ALDH1A1CD274CYP2C9CYP2C19
SCHEMBL14007268 0.80 EPHX2 (0.66) EPHX2HPGDCYP2C9CYP2C19CYP2J2
SCHEMBL14007272 0.78 EPHX2 (0.56) EPHX2CYP2C9CYP2C19CYP2J2

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 2/4885SCN5A 3196/4885CACNA1G 4685/4885

“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.