SCHEMBL14007265

SCHEMBL14007265

O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(=O)n(CC(=O)N2CCOCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 12/20 0.48
CD274 Q9NZQ7 1/20 0.47
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PKM P14618 1/20 0.45
LMNA P02545 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2J2 P51589 2/20 0.41
TAAR1 Q96RJ0 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
SCHEMBL14007252 0.91 EPHX2 (0.56) EPHX2CD274ALDH1A1SMN1; SMN2
SCHEMBL14007263 0.81 EPHX2 (0.55) EPHX2CD274ALDH1A1SMN1; SMN2CYP2C9
SCHEMBL14007269 0.80 EPHX2 (0.61) EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL14541712 0.80 EPHX2 (0.58) EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL13702308 0.78 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNACYP2C19
SCHEMBL14007262 0.78 EPHX2 (0.65) EPHX2CD274ALDH1A1SMN1; SMN2CYP2C19
SCHEMBL14007264 0.78 EPHX2 (0.63) EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL4249071 0.76 GAA (0.49) ALDH1A1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL14007196 0.75 HRH3 (0.47) ALDH1A1SMN1; SMN2PKM
SCHEMBL14007272 0.75 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 2/4885CD274 3657/4885ALDH1A1 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.