SCHEMBL4246786

SCHEMBL4246786

O=[N+]([O-])c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.58
PDE4A P27815 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
ABL1 P00519 1/20 0.40
EGFR P00533 1/20 0.40
BCR P11274 1/20 0.40
SRC P12931 1/20 0.40
PRKCA P17252 1/20 0.40
CYP19A1 P11511 2/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
RAB9A P51151 1/20 0.39
PTGS2 P35354 1/20 0.39
MAPT P10636 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CXCR5 P32302 1/20 0.39
APLNR P35414 1/20 0.39
CCR6 P51684 1/20 0.39

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
SCHEMBL4250848 0.82 EPHX2 (0.62) EPHX2ABL1BCRPTGS2HSP90AA1
SCHEMBL4254953 0.81 EPHX2 (0.77) EPHX2RAB9AMAPT
SCHEMBL4745466 0.80 EPHX2 (0.57) EPHX2PDE4APDE4CPDE4DRAB9A
SCHEMBL14507636 0.79 EPHX2 (0.73) EPHX2MAPT
SCHEMBL4249803 0.78 EPHX2 (0.63) EPHX2PTGS2HSP90AA1
SCHEMBL4249800 0.76 EPHX2 (0.63) EPHX2HSP90AA1
SCHEMBL4747448 0.75 EPHX2 (0.62) EPHX2PTGS2
SCHEMBL14507851 0.75 EPHX2 (0.62) EPHX2PTGS2
SCHEMBL4249881 0.75 EPHX2 (0.62) EPHX2PTGS2MAPT
SCHEMBL4245798 0.74 EPHX2 (0.91) EPHX2

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
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 2/4885PDE4A 1942/4885PDE4C 2471/4885

“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.