SCHEMBL3068942

SCHEMBL3068942

CC(F)(F)c1nc2c(C(F)(F)F)cccc2c(=O)n1NC(=O)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
HTT P42858 3/20 0.46
NPSR1 Q6W5P4 2/20 0.45
LMNA P02545 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RXFP1 Q9HBX9 2/20 0.44
RAB9A P51151 2/20 0.43
CNR2 P34972 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
AKR1B1 P15121 2/20 0.39
TRPA1 O75762 1/20 0.39
MAPT P10636 1/20 0.39
GALR3 O60755 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL13101684 0.94 ALDH1A1 (0.48) ALDH1A1HTTNPSR1LMNAMEN1
SCHEMBL13102291 0.92 ALDH1A1 (0.41) ALDH1A1HTTNPSR1LMNAMEN1
SCHEMBL13102107 0.90 ALDH1A1 (0.48) ALDH1A1HTTNPSR1LMNAMEN1
SCHEMBL13102019 0.89 ALDH1A1 (0.46) ALDH1A1HTTNPSR1LMNAMEN1
SCHEMBL13102272 0.89 ALDH1A1 (0.48) ALDH1A1HTTNPSR1LMNAMEN1
SCHEMBL3070758 0.87 ALDH1A1 (0.55) ALDH1A1HTTNPSR1LMNAMEN1
SCHEMBL3061075 0.86 NPSR1 (0.48) ALDH1A1HTTNPSR1LMNAMEN1
SCHEMBL13102016 0.86 ALDH1A1 (0.43) ALDH1A1HTTNPSR1LMNAMEN1
SCHEMBL13101689 0.85 ALDH1A1 (0.42) ALDH1A1HTTNPSR1LMNAMEN1
SCHEMBL13102017 0.85 ALDH1A1 (0.43) ALDH1A1HTTNPSR1LMNAMEN1

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 329/4885NPSR1 1871/4885
US-20100273784-A1 FUSED RING HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNK17, KCNJ2, KCNJ1 ALDH1A1 2354/4885HTT 329/4885NPSR1 1871/4885
US-20050059823-A1 Fused ring heterocycles as potassium channel modulators KCNK17, KCNJ2, KCNJ1 ALDH1A1 2354/4885HTT 329/4885NPSR1 1871/4885

“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.