SCHEMBL4253798

SCHEMBL4253798

O=C(NCc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 12/20 0.73
ALOX5 P09917 1/20 0.53
TBXAS1 P24557 1/20 0.53
SLC6A3 Q01959 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
VHL P40337 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
NTRK1 P04629 1/20 0.41
AKT1 P31749 1/20 0.41
AKT2 P31751 1/20 0.41
AKT3 Q9Y243 1/20 0.41
GRM5 P41594 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
SCHEMBL13701951 0.88 EPHX2 (0.89) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4245826 0.88 EPHX2 (0.60) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4256182 0.86 EPHX2 (0.86) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4251748 0.85 EPHX2 (0.75) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4251029 0.84 EPHX2 (0.70) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4249396 0.83 EPHX2 (0.80) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4246073 0.83 EPHX2 (0.87) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL13702057 0.82 EPHX2 (0.54) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4249709 0.82 EPHX2 (1.00) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL13702056 0.82 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 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
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.