SCHEMBL1320161

SCHEMBL1320161

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 4/20 0.45
KCNQ2 O43526 4/20 0.45
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
CSNK1D P48730 2/20 0.38
CSNK1E P49674 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 1/20 0.38
SIRT5 Q9NXA8 1/20 0.38
USP7 Q93009 1/20 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
SCHEMBL1319480 0.94 KCNQ3 (0.43) KCNQ3KCNQ2CSNK1DCSNK1EUSP7
SCHEMBL1321730 0.91 KCNQ3 (0.48) KCNQ3KCNQ2ALDH1A1POLBMAPT
SCHEMBL1320942 0.88 POLB (0.48) KCNQ3KCNQ2ALDH1A1POLBMAPT
SCHEMBL1320250 0.87 KCNQ3 (0.45) KCNQ3KCNQ2ALDH1A1POLBGAA
SCHEMBL1318872 0.86 KCNQ3 (0.46) KCNQ3KCNQ2CSNK1DCSNK1EHPGD
SCHEMBL1321283 0.86 GABRA1 (0.46) KCNQ3KCNQ2ALDH1A1POLBMAPT
SCHEMBL1321698 0.85 KCNQ3 (0.44) KCNQ3KCNQ2ALDH1A1GAAMAPT
SCHEMBL1322667 0.85 MAPT (0.45) ALDH1A1POLBGAAMEN1MAPT
SCHEMBL1321250 0.85 KCNQ3 (0.43) KCNQ3KCNQ2POLBMAPTCSNK1D
SCHEMBL1318630 0.84 KCNQ3 (0.43) KCNQ3KCNQ2ALDH1A1POLBMEN1

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 7/4885ALDH1A1 2020/4885
US-20090062290-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 KCNQ3 23/4885KCNQ2 7/4885ALDH1A1 2150/4885
US-20100240663-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 KCNQ3 23/4885KCNQ2 7/4885ALDH1A1 2150/4885

“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.