SCHEMBL1318630

SCHEMBL1318630

CC(C)(C)CC(=O)Nc1nc2ccc(F)cn2c1-c1ccc(F)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 5/20 0.43
KCNQ2 O43526 5/20 0.43
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TRPA1 O75762 1/20 0.36
HPGD P15428 2/20 0.35
ADORA1 P30542 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
USP7 Q93009 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CSNK1D P48730 1/20 0.34
CSNK1E P49674 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL1322624 0.92 KCNQ2 (0.44) KCNQ3KCNQ2GABRA1GABRB2CYP11B1
SCHEMBL1322781 0.92 KCNQ2 (0.53) KCNQ3KCNQ2GABRA1GABRB2CYP11B1
SCHEMBL1321730 0.90 KCNQ3 (0.48) KCNQ3KCNQ2GABRA1GABRB2TRPA1
SCHEMBL1318885 0.90 KCNQ3 (0.40) KCNQ3KCNQ2GABRA1GABRB2CYP11B1
SCHEMBL1321056 0.90 KCNQ3 (0.41) KCNQ3KCNQ2GABRA1GABRB2CYP11B1
SCHEMBL1319480 0.88 KCNQ3 (0.43) KCNQ3KCNQ2GABRA1GABRB2CYP11B1
SCHEMBL1322424 0.88 PDE4A (0.39) KCNQ3KCNQ2CYP11B1CYP11B2TRPA1
SCHEMBL1319591 0.88 KCNQ2 (0.42) KCNQ3KCNQ2GABRA1GABRB2CYP11B1
SCHEMBL1319203 0.88 KCNQ2 (0.41) KCNQ3KCNQ2GABRA1GABRB2CYP11B1
SCHEMBL1321283 0.87 GABRA1 (0.46) KCNQ3KCNQ2GABRA1GABRB2HPGD

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018208-B2 Heterocycles as potassium channel modulators ICAGEN INC. (US) 2015-04-28 US disclosed
US-20130143889-A1 Heterocycles As Potassium Channel Modulators ICAGEN INC. (US) 2013-06-06 US disclosed
US-8431608-B2 Heterocycles as potassium channel modulators ICAGEN INC. (US) 2013-04-30 US disclosed
EP-2536718-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS Icagen, Inc. (US) 2012-12-26 EP disclosed
US-8058274-B2 Heterocycles as potassium channel modulators ICAGEN, INC. (US) 2011-11-15 US disclosed
WO-2011102964-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2011-08-25 WO disclosed
US-20100240663-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2010-09-23 US disclosed
EP-2178373-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS Icagen, Inc. (US) 2010-04-28 EP disclosed
US-20090062290-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2009-03-05 US disclosed
WO-2009026254-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2009-02-26 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 (3 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-20130143889-A1 Heterocycles As Potassium Channel Modulators KCNK10, KCNK9, KCNJ2 KCNQ3 29/4885KCNQ2 7/4885GABRA1 249/4885
US-20090062290-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 KCNQ3 23/4885KCNQ2 7/4885GABRA1 246/4885
US-20100240663-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 KCNQ3 23/4885KCNQ2 7/4885GABRA1 246/4885

“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.