SCHEMBL1320484

SCHEMBL1320484

CC(C)(C)CC(=O)Nc1nc2ncccn2c1-c1cccc(OC(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 5/20 0.54
KCNQ2 O43526 5/20 0.54
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GPR139 Q6DWJ6 2/20 0.42
DGAT2 Q96PD7 1/20 0.41
SUCNR1 Q9BXA5 1/20 0.41
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
SLC6A7 Q99884 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
HPGD P15428 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
SCHEMBL1322721 0.87 GPR139 (0.44) KCNQ3KCNQ2NPC1KDM4EALDH1A1
SCHEMBL1321405 0.86 KCNQ3 (0.44) KCNQ3KCNQ2NPC1RAB9AKDM4E
SCHEMBL1322549 0.85 KCNQ3 (0.47) KCNQ3KCNQ2GPR139HDAC1HDAC6
SCHEMBL1320579 0.85 ROCK2 (0.45) GPR139SUCNR1HDAC1HDAC6MAPT
SCHEMBL1319655 0.84 NPC1 (0.51) KCNQ3KCNQ2NPC1RAB9AKDM4E
SCHEMBL1322175 0.80 KCNQ3 (0.43) KCNQ3KCNQ2GPR139CYSLTR2CYSLTR1
SCHEMBL3703176 0.79 KCNQ3 (0.81) KCNQ3KCNQ2NPC1RAB9AKDM4E
SCHEMBL1319191 0.76 DYRK1A (0.50) KCNQ3KCNQ2PIM1
SCHEMBL1321047 0.76 PIM1 (0.47) KCNQ3KCNQ2PIM1
SCHEMBL1321155 0.74 KCNQ3 (0.55) KCNQ3KCNQ2RAB9AKDM4EALDH1A1

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 7/4885NPC1 1912/4885
US-20090062290-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 KCNQ3 23/4885KCNQ2 7/4885NPC1 1731/4885
US-20100240663-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 KCNQ3 23/4885KCNQ2 7/4885NPC1 1731/4885

“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.