SCHEMBL4252829

SCHEMBL4252829

O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.82
RAF1 P04049 2/20 0.50
CRACR2A Q9BSW2 1/20 0.49
GAA P10253 2/20 0.49
MEN1 O00255 1/20 0.49
CASP3 P42574 1/20 0.49
KMT2A Q03164 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
DGAT1 O75907 1/20 0.48
CYP3A4 P08684 1/20 0.48
SOAT1 P35610 1/20 0.48
TEK Q02763 3/20 0.48
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 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
SCHEMBL4252949 0.91 EPHX2 (0.78) EPHX2CRACR2AGAATEKMAPT
SCHEMBL4251066 0.91 EPHX2 (0.78) EPHX2CRACR2ATEK
SCHEMBL4248491 0.91 EPHX2 (1.00) EPHX2CRACR2AGAATEK
SCHEMBL4246916 0.91 EPHX2 (0.77) EPHX2DGAT1TEK
SCHEMBL4249932 0.89 EPHX2 (0.75) EPHX2CRACR2ATEKMAPTMAPK1
SCHEMBL4249331 0.89 EPHX2 (0.75) EPHX2CRACR2ATEKMAPK1
SCHEMBL4250823 0.89 EPHX2 (0.77) EPHX2CRACR2AGAAMAPTMAPK1
SCHEMBL4250527 0.88 EPHX2 (0.84) EPHX2CRACR2AMEN1KMT2ATEK
SCHEMBL4257268 0.88 EPHX2 (0.73) EPHX2CRACR2AKMT2ATEKMAPT
SCHEMBL4245798 0.88 EPHX2 (0.91) EPHX2CRACR2AMEN1KMT2ATEK

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 2/4885RAF1 1276/4885CRACR2A 3167/4885

“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.