SCHEMBL13701901

SCHEMBL13701901

O=C(Nc1ccc(-n2nc(C3CCOCC3)cc2C(F)(F)F)nn1)c1cccc(N2CCOCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.48
RAF1 P04049 9/20 0.44
BRAF P15056 6/20 0.44
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
CSNK1D P48730 1/20 0.42
CSNK1E P49674 1/20 0.42
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KMO O15229 1/20 0.39
OPRK1 P41145 1/20 0.38
PLOD2 O00469 1/20 0.38
PLOD3 O60568 1/20 0.38
PLOD1 Q02809 1/20 0.38

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
SCHEMBL13701988 0.88 EPHX2 (0.50) EPHX2RAF1BRAFKDM4EGAA
SCHEMBL13701899 0.85 EPHX2 (0.48) EPHX2RAF1BRAF
SCHEMBL4250890 0.83 EPHX2 (0.72) EPHX2RAF1BRAFKDM4EGAA
SCHEMBL13701912 0.77 EPHX2 (0.44) EPHX2RAF1BRAFCSNK1DCSNK1E
SCHEMBL4248399 0.76 EPHX2 (0.75) EPHX2BRAFNPC1RAB9A
SCHEMBL4249078 0.76 EPHX2 (0.75) EPHX2BRAFNPC1RAB9A
SCHEMBL4246845 0.76 EPHX2 (0.56) EPHX2RAF1BRAFKDM4EGAA
SCHEMBL4255967 0.76 EPHX2 (0.71) EPHX2
SCHEMBL13702000 0.75 EPHX2 (0.51) EPHX2RAF1BRAFNPC1RAB9A
SCHEMBL4249717 0.75 EPHX2 (0.74) EPHX2BRAFNPC1RAB9A

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-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
WO-2007067836-A2 SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-14 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-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors EPHX1, EPHX2, EPX EPHX2 2/4885RAF1 1276/4885BRAF 1743/4885

“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.