SCHEMBL4246845

SCHEMBL4246845

O=C(Nc1ccc(-n2nc(-c3ccc(N4CCOCC4)nc3)cc2C(F)(F)F)nn1)c1cccc(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.56
BRAF P15056 10/20 0.44
RAF1 P04049 9/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
STAT3 P40763 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
MTOR P42345 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 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
SCHEMBL4251824 0.89 EPHX2 (0.56) EPHX2BRAFRAF1KDM4EGAA
SCHEMBL4250822 0.89 EPHX2 (0.54) EPHX2BRAFRAF1KDM4EGAA
SCHEMBL4246609 0.84 EPHX2 (0.71) EPHX2MAPTSTAT3SMN1; SMN2NPC1
SCHEMBL4248352 0.83 EPHX2 (0.58) EPHX2BRAFRAF1GAAMAPT
SCHEMBL4245901 0.82 EPHX2 (0.82) EPHX2MAPT
SCHEMBL4250890 0.81 EPHX2 (0.72) EPHX2BRAFRAF1KDM4EGAA
SCHEMBL13701988 0.81 EPHX2 (0.50) EPHX2BRAFRAF1KDM4EGAA
SCHEMBL4249078 0.79 EPHX2 (0.75) EPHX2BRAFMAPTSTAT3SMN1; SMN2
SCHEMBL13701966 0.78 EPHX2 (0.71) EPHX2MAPT
SCHEMBL13701872 0.78 EPHX2 (0.68) EPHX2MAPT

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 4 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
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 2/4885BRAF 1743/4885RAF1 1276/4885

“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.