SCHEMBL13701935

SCHEMBL13701935

O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.67
ABL1 P00519 9/20 0.56
OPRM1 P35372 1/20 0.55
KCNH2 Q12809 1/20 0.55
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALOX5 P09917 1/20 0.50
TBXAS1 P24557 1/20 0.50
SLC6A3 Q01959 1/20 0.50
SIGMAR1 Q99720 1/20 0.50

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) EPHX2ABL1OPRM1KCNH2
SCHEMBL4247416 0.89 EPHX2 (0.79) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4253806 0.87 EPHX2 (0.67) EPHX2ABL1NPC1RAB9AALOX5
SCHEMBL13702020 0.85 EPHX2 (0.80) EPHX2ABL1OPRM1KCNH2ALOX5
SCHEMBL4251767 0.83 EPHX2 (0.72) EPHX2ABL1OPRM1KCNH2
SCHEMBL4252824 0.82 EPHX2 (0.80) EPHX2ABL1OPRM1KCNH2
SCHEMBL4252882 0.81 EPHX2 (0.67) EPHX2L3MBTL1ALOX5TBXAS1SLC6A3
SCHEMBL4257027 0.80 EPHX2 (0.78) EPHX2ABL1OPRM1KCNH2ALOX5
SCHEMBL4245873 0.80 EPHX2 (0.63) EPHX2L3MBTL1ALOX5TBXAS1SLC6A3
SCHEMBL14409474 0.79 EPHX2 (0.73) EPHX2RAB9AALOX5TBXAS1SLC6A3

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 2 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

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 2/4885ABL1 4720/4885OPRM1 3613/4885

“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.