SCHEMBL4256182

SCHEMBL4256182

O=C(NCc1ccccc1)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.86
ALOX5 P09917 1/20 0.51
TBXAS1 P24557 1/20 0.51
SLC6A3 Q01959 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
KMT2A Q03164 1/20 0.49
NAMPT P43490 2/20 0.47
ROCK2 O75116 1/20 0.47
RPS6KA5 O75582 1/20 0.47
MAP4K4 O95819 1/20 0.47
PRKCG P05129 1/20 0.47
PRKACA P17612 1/20 0.47
RPS6KB1 P23443 1/20 0.47
MAPK1 P28482 1/20 0.47
AKT1 P31749 1/20 0.47
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
PRKX P51817 1/20 0.47
PRKCD Q05655 1/20 0.47
PRKG2 Q13237 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
SCHEMBL13701951 0.96 EPHX2 (0.89) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4246073 0.91 EPHX2 (0.87) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4245833 0.91 EPHX2 (0.71) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4255865 0.90 EPHX2 (0.76) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4250838 0.89 EPHX2 (0.69) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4251029 0.88 EPHX2 (0.70) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL13701930 0.88 EPHX2 (0.67) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL13701952 0.88 EPHX2 (0.72) EPHX2
SCHEMBL4252763 0.87 EPHX2 (0.76) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4253798 0.86 EPHX2 (0.73) 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 2/4885ALOX5 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.