SCHEMBL4254875

SCHEMBL4254875

O=C(Nc1ccncc1)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 13/20 1.00
NTRK1 P04629 1/20 0.57
ORAI1 Q96D31 2/20 0.53
ALOX5 P09917 1/20 0.53
TBXAS1 P24557 1/20 0.53
SLC6A3 Q01959 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
TRPC1 P48995 1/20 0.52
TRPC3 Q13507 1/20 0.52
STIM1 Q13586 1/20 0.52
GRM5 P41594 1/20 0.52
ROCK2 O75116 1/20 0.48
ROCK1 Q13464 1/20 0.48
CRACR2A Q9BSW2 1/20 0.48

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
SCHEMBL4248919 0.89 EPHX2 (0.79) EPHX2
SCHEMBL4247416 0.88 EPHX2 (0.79) EPHX2NTRK1ORAI1ALOX5TBXAS1
SCHEMBL4252958 0.87 EPHX2 (0.77) EPHX2NTRK1ALOX5TBXAS1SLC6A3
SCHEMBL4254006 0.86 EPHX2 (0.80) EPHX2NTRK1ORAI1ALOX5TBXAS1
SCHEMBL4257116 0.85 EPHX2 (0.89) EPHX2NTRK1ALOX5TBXAS1SLC6A3
SCHEMBL4248317 0.84 EPHX2 (0.72) EPHX2NTRK1ALOX5TBXAS1SLC6A3
SCHEMBL13702190 0.83 EPHX2 (0.78) EPHX2
SCHEMBL4257269 0.83 EPHX2 (0.89) EPHX2NTRK1ALOX5TBXAS1SLC6A3
SCHEMBL4250793 0.83 EPHX2 (0.71) EPHX2NTRK1ORAI1TRPC1TRPC3
SCHEMBL4257065 0.82 EPHX2 (0.86) EPHX2NTRK1ALOX5TBXAS1SLC6A3

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 2/4885NTRK1 4187/4885ORAI1 4613/4885

“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.