SCHEMBL4246313

SCHEMBL4246313

COc1ccc(-c2cc(C(F)(F)F)n(-c3ccc(NC(=O)c4cccc(-c5ccc(F)nc5)c4)nn3)n2)cn1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.58
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
PSD A5PKW4 1/20 0.39
ALOX5 P09917 1/20 0.38
TBXAS1 P24557 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ABL1 P00519 3/20 0.37
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37
BCR P11274 1/20 0.36

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
SCHEMBL4245864 0.92 EPHX2 (0.71) EPHX2MEN1KMT2AKEAP1NFE2L2
SCHEMBL4248352 0.88 EPHX2 (0.58) EPHX2MEN1KMT2AKEAP1NFE2L2
SCHEMBL14507869 0.88 EPHX2 (0.58) EPHX2MEN1KMT2AKEAP1NFE2L2
SCHEMBL4255876 0.88 EPHX2 (0.75) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL13701983 0.87 EPHX2 (0.54) EPHX2MEN1KMT2AKEAP1NFE2L2
SCHEMBL4251778 0.86 EPHX2 (0.56) EPHX2MEN1KMT2AKEAP1NFE2L2
SCHEMBL4251824 0.84 EPHX2 (0.56) EPHX2GAAMAPTRAF1BRAF
SCHEMBL4246247 0.84 EPHX2 (0.57) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL13702413 0.83 EPHX2 (0.54) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4251829 0.82 EPHX2 (0.75) EPHX2KMT2AALOX5TBXAS1SLC6A3

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 2/4885MEN1 4409/4885KMT2A 3792/4885

“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.