SCHEMBL13701680

SCHEMBL13701680

CC(C)(C)NC(=O)c1cccc(-c2ccc(Cl)nc2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 6/20 0.48
KCNQ2 O43526 6/20 0.48
KCNE1 P15382 3/20 0.48
KCNQ1 P51787 3/20 0.48
GAA P10253 1/20 0.44
CDK8 P49336 1/20 0.43
DYRK1A Q13627 3/20 0.42
DYRK3 O43781 2/20 0.42
DYRK2 Q92630 2/20 0.42
DYRK1B Q9Y463 2/20 0.42
LMNA P02545 3/20 0.42
RIPK1 Q13546 1/20 0.42
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL13701669 0.85 RIPK1 (0.45) CDK8DYRK1ALMNARIPK1ABL1
SCHEMBL13701679 0.84 NPC1 (0.47) CDK8DYRK1ALMNARIPK1NPC1
SCHEMBL13701691 0.83 ANO1 (0.45) CDK8LMNARIPK1
SCHEMBL13701640 0.82 MEN1 (0.60)
SCHEMBL13701676 0.80 GAA (0.44) GAACDK8DYRK1ALMNARIPK1
SCHEMBL13611934 0.80 KMO (0.61) DYRK1ARIPK1
SCHEMBL3531806 0.78 GAA (0.61) GAALMNANPC1RAB9A
SCHEMBL13701695 0.78 HDAC8 (0.64) LMNA
SCHEMBL13701643 0.78 KAT6A (0.54) DYRK1ALMNAABL1
SCHEMBL13701634 0.77 MEN1 (0.58) LMNANPC1HTTRAB9A

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 KCNQ3 3780/4885KCNQ2 3942/4885KCNE1 2395/4885

“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.