SCHEMBL4246175

SCHEMBL4246175

O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1cncc(Br)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 12/20 0.79
ALOX5 P09917 1/20 0.48
TBXAS1 P24557 1/20 0.48
SLC6A3 Q01959 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 2/20 0.40
ABL1 P00519 1/20 0.40
OPRM1 P35372 1/20 0.40
KCNH2 Q12809 1/20 0.40
NTRK1 P04629 1/20 0.40
ROCK2 O75116 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
ROCK1 Q13464 1/20 0.40
MEN1 O00255 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
SCHEMBL13701965 0.92 EPHX2 (0.83) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4245901 0.91 EPHX2 (0.82) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4253810 0.91 EPHX2 (0.84) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4248700 0.91 EPHX2 (0.91) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4247329 0.90 EPHX2 (0.86) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4249702 0.90 EPHX2 (0.79) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4246800 0.88 EPHX2 (1.00) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4250817 0.88 EPHX2 (0.89) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL13701855 0.86 EPHX2 (0.93) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4246068 0.86 EPHX2 (0.86) 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 6 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
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
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.