SCHEMBL13701675

SCHEMBL13701675

CNC(=O)c1ccc(-c2cccc(C(=O)NC(C)(C)C)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.52
CYP17A1 P05093 1/20 0.51
CYP3A4 P08684 1/20 0.51
PDK2 Q15119 2/20 0.49
JAK2 O60674 1/20 0.49
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 1/20 0.49
KMT2A Q03164 2/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
CDK8 P49336 1/20 0.47
PIK3CG P48736 1/20 0.46
NR4A2 P43354 1/20 0.46
RIPK1 Q13546 1/20 0.45
MAPK1 P28482 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.45

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
SCHEMBL13701631 0.94 HDAC8 (0.54) CRBNCYP17A1CYP3A4PDK2HDAC8
SCHEMBL9056834 0.89 CRBN (0.61) CRBNCYP17A1CYP3A4PDK2MKNK1
SCHEMBL13701637 0.87 RXRA (0.59) HDAC8KMT2ALMNAPOLBMAPT
SCHEMBL13701695 0.86 HDAC8 (0.64) HDAC8LMNAPOLBMAPTCTDSP1
SCHEMBL13701798 0.86 HDAC8 (0.65) HDAC8HDAC6KMT2ALMNA
SCHEMBL13701638 0.85 PLAU (0.51) JAK2MKNK1MKNK2HDAC8KMT2A
SCHEMBL13701634 0.85 MEN1 (0.58) JAK2HDAC8KMT2ALMNAPOLB
SCHEMBL17806568 0.85 CYP17A1 (0.56) CRBNCYP17A1CYP3A4PDK2MKNK1
SCHEMBL5943959 0.83 HDAC6 (0.72) CRBNCYP17A1CYP3A4PDK2MKNK1
SCHEMBL13701670 0.83 HDAC6 (0.50) PDK2JAK2HDAC8HDAC6KMT2A

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 CRBN 4618/4885CYP17A1 117/4885CYP3A4 58/4885

“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.