SCHEMBL4253801

SCHEMBL4253801

O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.76
GPR132 Q9UNW8 8/20 0.49
SMPD1 P17405 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CMKLR2 P46091 1/20 0.48
CMKLR1 Q99788 1/20 0.48
ALOX5 P09917 1/20 0.47
TBXAS1 P24557 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SIGMAR1 Q99720 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
SCHEMBL13701864 0.90 EPHX2 (0.82) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4246916 0.89 EPHX2 (0.77) EPHX2GPR132SMPD1CMKLR2CMKLR1
SCHEMBL4253837 0.89 EPHX2 (0.77) EPHX2GPR132SMPD1MEN1KMT2A
SCHEMBL13702191 0.88 EPHX2 (0.71) EPHX2KMT2AALOX5TBXAS1SLC6A3
SCHEMBL4249058 0.87 EPHX2 (0.78) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL13701954 0.87 EPHX2 (0.90) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4246800 0.87 EPHX2 (1.00) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4254886 0.86 EPHX2 (0.78) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4257267 0.86 EPHX2 (0.86) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4250517 0.86 EPHX2 (0.83) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1

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 2/4885GPR132 3141/4885SMPD1 241/4885

“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.