SCHEMBL1318872

SCHEMBL1318872

CC(C)(C)CC(=O)Nc1nc2ccc(C(F)(F)F)cn2c1-c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 6/20 0.46
KCNQ2 O43526 6/20 0.46
USP7 Q93009 2/20 0.45
CSNK1D P48730 3/20 0.41
TRPA1 O75762 1/20 0.39
CSNK1E P49674 2/20 0.38
KCNQ4 P56696 1/20 0.38
KCNQ5 Q9NR82 1/20 0.38
HPGD P15428 1/20 0.38
MCHR1 Q99705 6/20 0.37

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
SCHEMBL1321313 0.94 KCNQ3 (0.48) KCNQ3KCNQ2USP7CSNK1DKCNQ4
SCHEMBL1321502 0.91 KCNQ3 (0.46) KCNQ3KCNQ2USP7CSNK1DTRPA1
SCHEMBL1321730 0.90 KCNQ3 (0.48) KCNQ3KCNQ2USP7CSNK1DTRPA1
SCHEMBL1319870 0.88 KCNQ3 (0.49) KCNQ3KCNQ2USP7CSNK1DHPGD
SCHEMBL1320942 0.87 POLB (0.48) KCNQ3KCNQ2USP7HPGD
SCHEMBL1320937 0.86 USP7 (0.46) USP7
SCHEMBL1320250 0.86 KCNQ3 (0.45) KCNQ3KCNQ2USP7CSNK1DCSNK1E
SCHEMBL1320161 0.86 KCNQ3 (0.45) KCNQ3KCNQ2USP7CSNK1DCSNK1E
SCHEMBL1321283 0.85 GABRA1 (0.46) KCNQ3KCNQ2USP7HPGD
SCHEMBL1321426 0.85 GPR139 (0.40) KCNQ3KCNQ2USP7MCHR1

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 7/4885USP7 2505/4885
US-20090062290-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 KCNQ3 23/4885KCNQ2 7/4885USP7 2598/4885
US-20100240663-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 KCNQ3 23/4885KCNQ2 7/4885USP7 2598/4885

“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.