SCHEMBL14007261

SCHEMBL14007261

O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(=O)n(Cc2cccnc2)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
BRD4 O60885 2/20 0.51
BRD2 P25440 1/20 0.51
BRD3 Q15059 1/20 0.51
BRDT Q58F21 1/20 0.51
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
MAPT P10636 1/20 0.48
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
PTAFR P25105 1/20 0.46
TPSAB1 Q15661 1/20 0.46

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 0.89 EPHX2 (0.62) EPHX2CYP2C9CYP2C19BRD4BRD2
SCHEMBL14007247 0.81 EPHX2 (0.70) EPHX2CYP2C9CYP2C19BRD4BRD2
SCHEMBL14034441 0.79 EPHX2 (0.67) EPHX2CYP2C9CYP2C19BRD4BRD2
SCHEMBL4251814 0.79 BRD4 (0.52) BRD4BRD2BRD3BRDTMAPT
SCHEMBL14007202 0.78 BRD4 (0.54) BRD4BRD2BRD3BRDTLMNA
SCHEMBL14007236 0.78 EPHX2 (0.72) EPHX2CYP2C9CYP2C19BRD4BRD2
SCHEMBL25525591 0.78 BRD4 (0.57) CYP2C9CYP2C19BRD4BRD2BRD3
SCHEMBL5947875 0.77 EPHX2 (1.00) EPHX2CYP2C9CYP2C19LMNAHPGD
SCHEMBL14007241 0.77 EPHX2 (0.65) EPHX2CYP2C9CYP2C19BRD4BRD2
SCHEMBL14007249 0.77 EPHX2 (0.56) EPHX2CYP2C9CYP2C19BRD4BRD2

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 2/4885CYP2C9 238/4885CYP2C19 348/4885

“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.