SCHEMBL4249800

SCHEMBL4249800

NC(=O)c1cnc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.63
PTGER1 P34995 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LDHA P00338 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HSP90AA1 P07900 5/20 0.42
ALOX5 P09917 1/20 0.40
TBXAS1 P24557 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
KMO O15229 1/20 0.40
SCN9A Q15858 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
SCHEMBL4249803 0.85 EPHX2 (0.63) EPHX2PTGER1KDM4ELDHAALDH1A1
SCHEMBL4252960 0.85 EPHX2 (0.63) EPHX2PTGER1KDM4ELDHAALDH1A1
SCHEMBL4245873 0.85 EPHX2 (0.63) EPHX2PTGER1KDM4ELDHAALDH1A1
SCHEMBL4250848 0.80 EPHX2 (0.62) EPHX2PTGER1KDM4ELDHAALDH1A1
SCHEMBL4252882 0.79 EPHX2 (0.67) EPHX2PTGER1KDM4ELDHAALDH1A1
SCHEMBL4252700 0.78 EPHX2 (0.53) EPHX2PTGER1KDM4ELDHAALDH1A1
SCHEMBL4389540 0.78 EPHX2 (1.00) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL14507847 0.77 EPHX2 (0.64) EPHX2KDM4EALDH1A1HSP90AA1ALOX5
SCHEMBL14507636 0.77 EPHX2 (0.73) EPHX2PTGER1KDM4ELDHAALDH1A1
SCHEMBL4246786 0.76 EPHX2 (0.58) EPHX2HSP90AA1

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 2/4885PTGER1 69/4885KDM4E 1988/4885

“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.