SCHEMBL13702000

SCHEMBL13702000

O=C(Nc1ccc(-n2nc(C3CCOCC3)cc2C(F)(F)F)cn1)c1cccc(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.51
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALOX5 P09917 1/20 0.42
TBXAS1 P24557 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
PTGS1 P23219 1/20 0.39
MTOR P42345 1/20 0.39
RAF1 P04049 4/20 0.39
MAPT P10636 1/20 0.39
GALK1 P51570 1/20 0.39
CCR2 P41597 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38

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
SCHEMBL13701988 0.86 EPHX2 (0.50) EPHX2MEN1KMT2ANPC1RAB9A
SCHEMBL13701912 0.82 EPHX2 (0.44) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL4249779 0.79 EPHX2 (0.82) EPHX2MEN1KMT2ANPC1RAB9A
SCHEMBL4252844 0.78 EPHX2 (0.53) EPHX2MEN1KMT2ANPC1RAB9A
SCHEMBL13701906 0.78 EPHX2 (0.70) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL13701992 0.76 EPHX2 (0.59) EPHX2MEN1KMT2ANPC1RAB9A
SCHEMBL13701901 0.75 EPHX2 (0.48) EPHX2NPC1RAB9ARAF1BRAF
SCHEMBL13701899 0.74 EPHX2 (0.48) EPHX2RAF1CCR2BRAF
SCHEMBL4253007 0.73 EPHX2 (0.47) EPHX2MEN1KMT2ANPC1RAB9A
SCHEMBL13701891 0.73 EPHX2 (0.73) 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 2 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

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.