SCHEMBL4250841

SCHEMBL4250841

Nc1cccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)nc2)c1

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 12/20 0.82
CRACR2A Q9BSW2 1/20 0.52
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
GFER P55789 1/20 0.49
TEK Q02763 1/20 0.48
PTGS1 P23219 1/20 0.47
BTK Q06187 3/20 0.47
BLK P51451 1/20 0.46
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL4250527 0.91 EPHX2 (0.84) EPHX2CRACR2ATEKMEN1TSHR
SCHEMBL4245798 0.91 EPHX2 (0.91) EPHX2CRACR2ATEKMEN1TSHR
SCHEMBL4246095 0.90 EPHX2 (0.83) EPHX2CRACR2ATEKMEN1TSHR
SCHEMBL4248610 0.90 EPHX2 (0.83) EPHX2CRACR2AALDH1A1TEK
SCHEMBL4248491 0.90 EPHX2 (1.00) EPHX2CRACR2ATEK
SCHEMBL4248369 0.90 EPHX2 (0.82) EPHX2CRACR2ATEKMEN1KMT2A
SCHEMBL4252693 0.90 EPHX2 (0.82) EPHX2CRACR2ATEK
SCHEMBL4248906 0.90 EPHX2 (0.82) EPHX2CRACR2AMAPTTEKKMT2A
SCHEMBL4250539 0.90 EPHX2 (0.82) EPHX2CRACR2AMAPTTEKKMT2A
SCHEMBL14507836 0.89 EPHX2 (0.80) EPHX2CRACR2AMAPTTEKMEN1

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 2/4885CRACR2A 3167/4885ALDH1A1 376/4885

“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.