SCHEMBL1319655

SCHEMBL1319655

CC(C)(C)CC(=O)Nc1nc2ncccn2c1-c1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
GAA P10253 2/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
GLA P06280 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KCNQ3 O43525 4/20 0.44
KCNQ2 O43526 4/20 0.44
MAPT P10636 3/20 0.43
TP53 P04637 2/20 0.43
BACE1 P56817 1/20 0.43
RXFP1 Q9HBX9 1/20 0.41
EPHB2 P29323 1/20 0.40
HPGD P15428 1/20 0.40
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
ADORA1 P30542 1/20 0.38

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
SCHEMBL1320139 0.86 NPC1 (0.42) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL1321562 0.84 TP53 (0.43) NPC1GAAKDM4EALDH1A1MAPT
SCHEMBL1320484 0.84 KCNQ3 (0.54) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL1319305 0.82 MAPT (0.47) NPC1RAB9AGAAALDH1A1MAPT
SCHEMBL1320507 0.77 KCNQ3 (0.41) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL1321136 0.71 KCNQ3 (0.42) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL1322721 0.71 GPR139 (0.44) NPC1KDM4EALDH1A1KCNQ3KCNQ2
SCHEMBL1321246 0.71 TYMP (0.35) ALDH1A1TP53HPGDADORA1
SCHEMBL1322586 0.70 USP7 (0.47) NPC1KDM4EKCNQ3KCNQ2MAPT
SCHEMBL1319711 0.69 KCNQ3 (0.48) NPC1RAB9AALDH1A1KCNQ3KCNQ2

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 NPC1 1912/4885RAB9A 664/4885GAA 1408/4885
US-20090062290-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 NPC1 1731/4885RAB9A 996/4885GAA 1268/4885
US-20100240663-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 NPC1 1731/4885RAB9A 996/4885GAA 1268/4885

“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.