SCHEMBL16017221

SCHEMBL16017221

Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2cccc(F)c2)cc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.58
MAPT P10636 3/20 0.58
TP53 P04637 2/20 0.58
THRB P10828 1/20 0.50
NPC1 O15118 8/20 0.46
RAB9A P51151 8/20 0.46
KCNK3 O14649 2/20 0.46
KDM4E B2RXH2 2/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
POLB P06746 2/20 0.46
TSHR P16473 1/20 0.46
KCNQ3 O43525 1/20 0.44
KCNQ2 O43526 1/20 0.44
KCNE1 P15382 1/20 0.44
KCNQ1 P51787 1/20 0.44

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
SCHEMBL15171092 0.92 MAPT (0.51) SMN1; SMN2MAPTTP53THRBNPC1
SCHEMBL15171125 0.90 SMN1; SMN2 (0.56) SMN1; SMN2MAPTTP53THRBNPC1
SCHEMBL16017183 0.89 CRACR2A (0.55) SMN1; SMN2MAPTTP53RAB9AKDM4E
SCHEMBL14887487 0.87 STIM1 (0.48) SMN1; SMN2MAPTTP53RAB9AKDM4E
SCHEMBL14887488 0.85 CRACR2A (0.49) SMN1; SMN2MAPTTP53RAB9AKDM4E
SCHEMBL15164946 0.85 MEN1 (0.55) SMN1; SMN2MAPTTP53NPC1RAB9A
SCHEMBL16017410 0.84 RAB9A (0.46) SMN1; SMN2MAPTTHRBNPC1RAB9A
SCHEMBL16008936 0.84 STIM1 (0.52) SMN1; SMN2MAPTTP53RAB9AKDM4E
SCHEMBL29420771 0.83 STIM1 (0.48) SMN1; SMN2RAB9AKDM4EPOLB
SCHEMBL14887704 0.83 STIM1 (0.48) SMN1; SMN2RAB9AKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-09-11 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 (1 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-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 SMN1; SMN2 854/4885MAPT 1478/4885TP53 2681/4885

“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.