SCHEMBL1320754

SCHEMBL1320754

O=C(CCC(F)(F)F)Nc1nc2ccc(F)cn2c1-c1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.39
ATM Q13315 3/20 0.39
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MDM2 Q00987 1/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
GABRD O14764 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRA4 P48169 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL1319631 0.91 TRPA1 (0.39) TRPA1ATMCASP3SENP8SENP7
SCHEMBL1319654 0.88 HDAC1 (0.40) TRPA1HDAC1HDAC2HDAC8
SCHEMBL1322118 0.88 PIK3CD (0.41) TRPA1PIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL1320507 0.86 KCNQ3 (0.41) TRPA1ATMMDM2GABRDGABRB1
SCHEMBL1319598 0.86 NAMPT (0.40) TRPA1ATM
SCHEMBL1320582 0.85 GABRA1 (0.41) TRPA1PIK3CDPIK3R1PIK3CBPIK3CG
SCHEMBL1320125 0.85 RET (0.44)
SCHEMBL1322352 0.85 CSNK1D (0.44) ATM
SCHEMBL1321223 0.85 TRPA1 (0.40) TRPA1ATMPIK3CDPIK3R1PIK3CB
SCHEMBL1320242 0.84 SMN1; SMN2 (0.44) ATMCASP3SENP8SENP7SENP6

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 TRPA1 107/4885ATM 1574/4885CASP3 1078/4885
US-20090062290-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 TRPA1 83/4885ATM 1260/4885CASP3 1135/4885
US-20100240663-A1 HETEROCYCLES AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNK2, KCNK17 TRPA1 83/4885ATM 1260/4885CASP3 1135/4885

“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.