SCHEMBL4249762

SCHEMBL4249762

O=C(Cl)c1cccc(-c2ccc(F)nc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.43
KMO O15229 1/20 0.43
MAP4K4 O95819 4/20 0.42
DHODH Q02127 1/20 0.42
BLK P51451 2/20 0.41
BTK Q06187 1/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
HPGDS O60760 1/20 0.41
CSNK1G2 P78368 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
MKNK2 Q9HBH9 2/20 0.40
MAP4K5 Q9Y4K4 2/20 0.40
CHEK2 O96017 2/20 0.40
PLAU P00749 1/20 0.40
CYP2E1 P05181 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2B6 P20813 1/20 0.39
CDK8 P49336 2/20 0.39
CDK7 P50613 2/20 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
SCHEMBL4254452 0.86 KMO (0.59) KMOMAP4K4DHODHPLAU
SCHEMBL22801121 0.84 MAP4K4 (0.57) KMOMAP4K4BLKBTKCSNK1G2
SCHEMBL4257073 0.81 CDK8 (0.59) CYP11B2PLAUCDK8
SCHEMBL726087 0.79 KMO (0.56) KMODHODH
SCHEMBL13702140 0.77 ERN1 (0.55) BLKBTKROCK2ROCK1
SCHEMBL13702390 0.77 CDK8 (0.61) MAP4K4BLKBTKMKNK2MAP4K5
SCHEMBL13701679 0.77 NPC1 (0.47) BLKBTKCDK8
SCHEMBL28032601 0.77 KMO (0.59) KMODHODH
SCHEMBL726544 0.76 KMO (0.53) KMOHSD17B1HSD17B2
SCHEMBL205967 0.76 KMO (0.73) CYP11B2KMOMKNK2CYP2A6

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 CYP11B2 270/4885KMO 838/4885MAP4K4 3050/4885

“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.