SCHEMBL14887339

SCHEMBL14887339

Cc1nc(C(=O)Nc2ccc(-c3cc4c(cc3C)OC(F)(F)O4)cc2)c(C)o1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 9/20 0.44
▸ SCN9A Q15858 1/20 0.43
▸ GAA P10253 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ BACE2 Q9Y5Z0 4/20 0.41
▸ STIM1 Q13586 1/20 0.41
▸ ORAI1 Q96D31 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ POLQ O75417 1/20 0.38
▸ MAPK14 Q16539 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ IL2 P60568 1/20 0.37

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
SCHEMBL14887335 0.90 BACE1 (0.42) BACE1GAAKDM4EBACE2STIM1
SCHEMBL16019793 0.88 DGAT1 (0.49) SCN9ASTIM1ORAI1ALDH1A1
SCHEMBL16018223 0.88 STIM1 (0.51) BACE1SCN9ASTIM1ORAI1ALDH1A1
SCHEMBL14887577 0.86 HSD17B10 (0.55) SCN9AGAASTIM1ORAI1ALDH1A1
SCHEMBL16019786 0.83 SCN9A (0.43) SCN9AKDM4ESTIM1ORAI1ALDH1A1
SCHEMBL16019820 0.83 KDM4E (0.54) SCN9AKDM4ESTIM1ORAI1POLQ
SCHEMBL14887767 0.81 NAMPT (0.46) SCN9ASTIM1ORAI1POLQ
SCHEMBL16019777 0.81 ALDH1A1 (0.53) SCN9ASTIM1ORAI1ALDH1A1HSD17B10
SCHEMBL16017210 0.80 MEN1 (0.50) SCN9AGAAKDM4ESMN1; SMN2
SCHEMBL16017281 0.80 STIM1 (0.44) SCN9ASTIM1ORAI1ALDH1A1HSD17B10

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-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-09-11 — — US disclosed
US-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-09-11 — — US disclosed
WO-2013059666-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-04-25 — — 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 (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 BACE1 677/4885SCN9A 235/4885GAA 994/4885

“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.

Send feedback