SCHEMBL4248352

SCHEMBL4248352

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.58
NPC1 O15118 2/20 0.44
CASP3 P42574 2/20 0.44
SENP8 Q96LD8 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
SENP6 Q9GZR1 2/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
ALOX5 P09917 1/20 0.39
TBXAS1 P24557 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 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
SCHEMBL14507869 0.90 EPHX2 (0.58) EPHX2NPC1CASP3SENP8SENP7
SCHEMBL4246313 0.88 EPHX2 (0.58) EPHX2MEN1KMT2AKEAP1NFE2L2
SCHEMBL4251778 0.88 EPHX2 (0.56) EPHX2MEN1KMT2AKEAP1NFE2L2
SCHEMBL13701992 0.88 EPHX2 (0.59) EPHX2NPC1CASP3SENP8SENP7
SCHEMBL4245864 0.88 EPHX2 (0.71) EPHX2MEN1KMT2AKEAP1NFE2L2
SCHEMBL13701983 0.84 EPHX2 (0.54) EPHX2ALDH1A1MEN1KMT2AKEAP1
SCHEMBL4245901 0.84 EPHX2 (0.82) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4246845 0.83 EPHX2 (0.56) EPHX2NPC1RAB9AMAPTGAA
SCHEMBL4245839 0.79 EPHX2 (0.56) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL4249058 0.79 EPHX2 (0.78) EPHX2NPC1ALDH1A1RAB9AALOX5

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 2/4885NPC1 1477/4885CASP3 1052/4885

“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.