SCHEMBL14007262

SCHEMBL14007262

O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(=O)n(CCN2CCOCC2)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.65
ALDH1A1 P00352 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
CD274 Q9NZQ7 2/20 0.56
HPGD P15428 1/20 0.56
KDM4E B2RXH2 2/20 0.53
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTR1A P08908 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
KCNH2 Q12809 1/20 0.49
CASR P41180 1/20 0.49
ACHE P22303 1/20 0.48
TSHR P16473 1/20 0.47
HPGDS O60760 1/20 0.47

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 0.90 EPHX2 (0.66) EPHX2ALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL14007252 0.87 EPHX2 (0.56) EPHX2ALDH1A1SMN1; SMN2CD274HPGD
SCHEMBL14007236 0.84 EPHX2 (0.72) EPHX2ALDH1A1SMN1; SMN2HPGDCYP2C19
SCHEMBL14007247 0.82 EPHX2 (0.70) EPHX2ALDH1A1SMN1; SMN2HPGDCYP2C19
SCHEMBL14007235 0.81 EPHX2 (0.82) EPHX2SMN1; SMN2HPGDCYP2C19
SCHEMBL14007263 0.81 EPHX2 (0.55) EPHX2ALDH1A1SMN1; SMN2CD274HPGD
SCHEMBL14034441 0.81 EPHX2 (0.67) EPHX2ALDH1A1SMN1; SMN2HPGDCYP2C19
SCHEMBL14007242 0.80 EPHX2 (0.76) EPHX2SMN1; SMN2HPGDCYP2C19
SCHEMBL14007241 0.79 EPHX2 (0.65) EPHX2ALDH1A1SMN1; SMN2HPGDCYP2C19
SCHEMBL14007258 0.79 EPHX2 (1.00) EPHX2SMN1; SMN2CYP2C19CASR

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 2/4885ALDH1A1 292/4885SMN1; SMN2 3162/4885

“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.