SCHEMBL20445295

SCHEMBL20445295

FC(F)(F)c1ccc2nc(-c3ccccc3)[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 10/20 1.00
DGAT1 O75907 7/20 0.94
KCNH2 Q12809 6/20 0.94
SOAT1 P35610 3/20 0.67
CBFB Q13951 1/20 0.66
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 2/20 0.60
MAPT P10636 2/20 0.60
HPGD P15428 2/20 0.60
NPC1 O15118 1/20 0.60
GLA P06280 1/20 0.60
GAA P10253 1/20 0.60
HTT P42858 1/20 0.60
RAB9A P51151 1/20 0.60
GFER P55789 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
RCE1 Q9Y256 1/20 0.60
MEN1 O00255 1/20 0.60
TP53 P04637 1/20 0.60
CYP3A4 P08684 1/20 0.60

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
SCHEMBL4184260 0.97 DGAT1 (1.00) NPBWR1DGAT1KCNH2SOAT1CBFB
SCHEMBL4184180 0.88 DGAT1 (0.78) NPBWR1DGAT1KCNH2SOAT1
SCHEMBL30615051 0.88 NPBWR1 (0.78) NPBWR1DGAT1KCNH2SOAT1CBFB
SCHEMBL29091542 0.88 NPBWR1 (0.78) NPBWR1DGAT1KCNH2SOAT1CBFB
SCHEMBL4191143 0.86 DGAT1 (0.74) NPBWR1DGAT1KCNH2SOAT1CBFB
SCHEMBL10381149 0.85 NPBWR1 (1.00) NPBWR1DGAT1KCNH2SOAT1
SCHEMBL15245160 0.85 DGAT1 (0.79) NPBWR1DGAT1KCNH2SOAT1NPC1
SCHEMBL6325971 0.85 NPBWR1 (0.74) NPBWR1DGAT1KCNH2SOAT1KDM4E
SCHEMBL529750 0.85 NPBWR1 (0.74) NPBWR1DGAT1KCNH2SOAT1CBFB
SCHEMBL900794 0.85 NPBWR1 (0.74) NPBWR1DGAT1KCNH2SOAT1CBFB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12403128-B2 Compositions and methods for blocking sodium channels Univerity of Virginia Patent Foundation (US) 2025-09-02 US disclosed
US-11090289-B2 Compositions and methods for blocking sodium channels UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2021-08-17 US disclosed
WO-2018140504-A1 COMPOSITIONS AND METHODS FOR BLOCKING SODIUM CHANNELS PATEL MANOJ K (US) 2018-08-02 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 (2 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-12403128-B2 Compositions and methods for blocking sodium channels SCN3A, SCN1B, SCN2B NPBWR1 1227/4885DGAT1 2135/4885KCNH2 61/4885
US-11090289-B2 Compositions and methods for blocking sodium channels SCN3A, SCN1B, SCN2B NPBWR1 1227/4885DGAT1 2135/4885KCNH2 61/4885

“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.