SCHEMBL4245873

SCHEMBL4245873

NC(=O)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.63
ALOX5 P09917 1/20 0.49
TBXAS1 P24557 1/20 0.49
SLC6A3 Q01959 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
HSP90AA1 P07900 3/20 0.46
KDM4E B2RXH2 1/20 0.42
LDHA P00338 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
PTGER1 P34995 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTGS2 P35354 1/20 0.41
KMT2A Q03164 1/20 0.41
USP8 P40818 1/20 0.41
NTRK1 P04629 1/20 0.41
SCN9A Q15858 1/20 0.40

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
SCHEMBL4252882 0.90 EPHX2 (0.67) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4249800 0.85 EPHX2 (0.63) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4247416 0.85 EPHX2 (0.79) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4247381 0.84 EPHX2 (0.62) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4245877 0.83 EPHX2 (0.59) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4252960 0.83 EPHX2 (0.63) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL13702052 0.82 EPHX2 (0.56) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4253186 0.82 PTGS2 (0.64) EPHX2HSP90AA1PTGS2
SCHEMBL4252890 0.82 EPHX2 (0.64) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4251029 0.81 EPHX2 (0.70) 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
EP-1960367-A2 SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2008-08-27 EP 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.