SCHEMBL13701966

SCHEMBL13701966

O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1cccc(-c2cccc(C(=O)N3CCOCC3)c2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.71
HTT P42858 1/20 0.43
ALOX5 P09917 1/20 0.42
TBXAS1 P24557 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PLK4 O00444 1/20 0.41
JAK2 O60674 1/20 0.41
MAP4K4 O95819 1/20 0.41
ROS1 P08922 1/20 0.41
FGFR1 P11362 1/20 0.41
FLT1 P17948 1/20 0.41
MARK3 P27448 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41
CLK2 P49760 1/20 0.41
CSNK1G2 P78368 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
SCHEMBL13701872 0.96 EPHX2 (0.68) EPHX2HTTALOX5TBXAS1SLC6A3
SCHEMBL13701871 0.93 EPHX2 (0.74) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL13701967 0.89 EPHX2 (0.71) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4246068 0.89 EPHX2 (0.86) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4250890 0.89 EPHX2 (0.72) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL13701954 0.87 EPHX2 (0.90) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4250816 0.86 EPHX2 (0.82) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4252917 0.86 EPHX2 (0.82) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4248312 0.86 EPHX2 (0.85) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4249078 0.86 EPHX2 (0.75) 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 3 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
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 2/4885HTT 3678/4885ALOX5 60/4885

“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.