SCHEMBL4245877

SCHEMBL4245877

NCc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.59
ALOX5 P09917 1/20 0.48
TBXAS1 P24557 1/20 0.48
SLC6A3 Q01959 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
PTGS2 P35354 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
USP8 P40818 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CYP2A6 P11509 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2B6 P20813 2/20 0.38
CYP2C19 P33261 2/20 0.38
TP53 P04637 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2E1 P05181 1/20 0.38
NTRK1 P04629 1/20 0.37

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
SCHEMBL4247381 0.85 EPHX2 (0.62) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4245870 0.85 EPHX2 (0.65) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4245873 0.83 EPHX2 (0.63) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4252890 0.82 EPHX2 (0.64) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL14409476 0.81 EPHX2 (0.64) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4253798 0.80 EPHX2 (0.73) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4252882 0.80 EPHX2 (0.67) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4245826 0.79 EPHX2 (0.60) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL13702057 0.78 EPHX2 (0.54) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL13702056 0.77 EPHX2 (0.53) 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 1 patent. 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

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 2/4885ALOX5 60/4885TBXAS1 221/4885

“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.