SCHEMBL3067313

SCHEMBL3067313

CCc1nc2cc(OC(F)(F)F)ccc2c(=O)n1NC(=O)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
HTT P42858 3/20 0.52
LMNA P02545 3/20 0.49
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
RXFP1 Q9HBX9 1/20 0.43
KDM4E B2RXH2 2/20 0.42
RAB9A P51151 1/20 0.42
USP2 O75604 1/20 0.42
CACNA1G O43497 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CSNK1D P48730 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL13102465 0.94 ALDH1A1 (0.51) ALDH1A1HTTLMNANPSR1MEN1
SCHEMBL13101984 0.93 ALDH1A1 (0.52) ALDH1A1HTTLMNANPSR1MEN1
SCHEMBL13101694 0.92 ALDH1A1 (0.44) ALDH1A1HTTLMNAMEN1KMT2A
SCHEMBL13101676 0.91 ALDH1A1 (0.42) ALDH1A1HTTLMNANPSR1CSNK1D
SCHEMBL13102049 0.90 ALDH1A1 (0.58) ALDH1A1HTTLMNANPSR1MEN1
SCHEMBL13102046 0.90 ALDH1A1 (0.51) ALDH1A1HTTLMNANPSR1MEN1
SCHEMBL13101727 0.90 CSNK1D (0.41) ALDH1A1HTTLMNANPSR1MEN1
SCHEMBL13101710 0.88 ALDH1A1 (0.41) ALDH1A1HTTLMNANPSR1MEN1
SCHEMBL13102276 0.88 TRPV4 (0.44) ALDH1A1HTTLMNAMEN1KMT2A
SCHEMBL13102318 0.87 SLC2A1 (0.45) ALDH1A1HTTLMNAKDM4ECSNK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663237-B1 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN INC (US) 2013-06-19 EP disclosed
US-8329713-B2 Fused ring heterocycles as potassium channel modulators ICAGEN INC. (US) 2012-12-11 US disclosed
US-8329713-B2 Fused ring heterocycles as potassium channel modulators ICAGEN INC. (US) 2012-12-11 US disclosed
US-20100273784-A1 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2010-10-28 US disclosed
US-20100273784-A1 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2010-10-28 US disclosed
US-7741332-B2 Fused ring heterocycles as potassium channel modulators ICAGEN, INC. (US) 2010-06-22 US disclosed
EP-1663237-A4 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN INC (US) 2009-04-29 EP disclosed
US-20080058319-A1 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2008-03-06 US disclosed
US-7223768-B2 Fused ring heterocycles as potassium channel modulators ICAGEN, INC. (US) 2007-05-29 US disclosed
EP-1663237-A2 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS Icagen, Inc. (US) 2006-06-07 EP disclosed
WO-2005025293-A2 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS ICAGEN, INC. (US) 2005-03-24 WO disclosed
US-20050059823-A1 Fused ring heterocycles as potassium channel modulators ICAGEN, INC. (US) 2005-03-17 US 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-20080058319-A1 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNK17, KCNJ2, KCNJ1 ALDH1A1 2354/4885HTT 329/4885LMNA 1121/4885
US-20100273784-A1 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNK17, KCNJ2, KCNJ1 ALDH1A1 2354/4885HTT 329/4885LMNA 1121/4885
US-20050059823-A1 Fused ring heterocycles as potassium channel modulators KCNK17, KCNJ2, KCNJ1 ALDH1A1 2354/4885HTT 329/4885LMNA 1121/4885

“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.