SCHEMBL1444191

SCHEMBL1444191

N#CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 8/20 0.49
KCNE1 P15382 1/20 0.46
KCNQ1 P51787 1/20 0.46
MLNR O43193 1/20 0.41
NR1I2 O75469 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
TBXA2R P21731 1/20 0.41
CCKBR P32239 1/20 0.41
OPRK1 P41145 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
NFE2L2 Q16236 2/20 0.36
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP19A1 P11511 1/20 0.34
NR3C1 P04150 1/20 0.34
KIF11 P52732 3/20 0.32
CYP1A2 P05177 1/20 0.31

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
SCHEMBL1443478 0.96 KCNN4 (0.51) KCNN4KCNE1KCNQ1MLNRNR1I2
SCHEMBL2391883 0.88 KCNN4 (0.46) KCNN4KCNE1KCNQ1MLNRNR1I2
Dimethylamine SCHEMBL2394420 0.81 KCNN4 (0.41) KCNN4KCNE1KCNQ1MLNRNR1I2
SCHEMBL2394417 0.81 KCNH2 (0.41) KCNN4KCNH2L3MBTL1
SCHEMBL2392348 0.79 KCNN4 (0.47) KCNN4KCNE1KCNQ1MLNRNR1I2
SCHEMBL1443801 0.79 KCNN4 (0.47) KCNN4KCNE1KCNQ1MLNRNR1I2
SCHEMBL1508072 0.78 KCNN4 (0.43) KCNN4KCNE1KCNQ1MLNRNR1I2
SCHEMBL1507926 0.75 KCNN4 (0.41) KCNN4KCNE1KCNQ1MLNRNR1I2
SCHEMBL1507842 0.74 KCNN4 (0.41) KCNN4KCNE1KCNQ1MLNRNR1I2
SCHEMBL1508045 0.74 KCNN4 (0.40) KCNN4KCNE1KCNQ1MLNRNR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011034860-A1 TREATMENT METHODS USING TRIARYL METHANE COMPOUNDS ICAGEN, INC. (US) 2011-03-24 WO disclosed
US-20100056637-A1 TREATMENT METHODS USING TRIARYL METHANE COMPOUNDS ICAGEN, INC. (US) 2010-03-04 US disclosed
US-20090036538-A1 TREATMENT METHODS USING TRIARYL METHANE COMPOUNDS ICAGEN, INC. (US) 2009-02-05 US disclosed
EP-1968563-A2 TREATMENT METHODS USING TRIARYL METHANE COMPOUNDS Icagen, Inc. (US) 2008-09-17 EP disclosed
EP-1158971-B1 GARDOS CHANNEL ANTAGONISTS ICAGEN INC (US) 2007-08-22 EP disclosed
US-20070185209-A1 Treatment methods using triaryl methane compounds ICAGEN, INC. (US) 2007-08-09 US disclosed
WO-2007075849-A2 TREATMENT METHODS USING TRIARYL METHANE COMPOUNDS ICAGEN, INC. (US) 2007-07-05 WO disclosed
EP-1158971-A4 GARDOS CHANNEL ANTAGONISTS ICAGEN INC (US) 2003-04-16 EP disclosed
EP-1158971-A1 GARDOS CHANNEL ANTAGONISTS Icagen, Inc. (US) 2001-12-05 EP disclosed
US-6288122-B1 A TRIPHENYL ACETAMIDE ICAGEN, INC. 2001-09-11 US disclosed
WO-2000050026-A1 GARDOS CHANNEL ANTAGONISTS ICAGEN, INC. (US) 2000-08-31 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-20070185209-A1 Treatment methods using triaryl methane compounds KCNH3, KCNH2, KCNJ2 KCNN4 37/4885KCNE1 20/4885KCNQ1 23/4885
US-20090036538-A1 TREATMENT METHODS USING TRIARYL METHANE COMPOUNDS KCNH3, KCNH2, KCNJ2 KCNN4 37/4885KCNE1 20/4885KCNQ1 23/4885
US-20100056637-A1 TREATMENT METHODS USING TRIARYL METHANE COMPOUNDS LTC4S, LTB4R2, CYSLTR2 KCNN4 2132/4885KCNE1 2203/4885KCNQ1 646/4885

“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.