SCHEMBL16636877

SCHEMBL16636877

CCc1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2ccccc2F)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.37
STIM1 Q13586 2/20 0.37
ORAI1 Q96D31 2/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
IL2 P60568 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 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
SCHEMBL16636486 0.93 IL2 (0.37) SMN1; SMN2HTTKMT2APOLBMAPT
SCHEMBL16636755 0.90 IL2 (0.45) HTTKMT2APOLBSTIM1ORAI1
SCHEMBL16636669 0.88 POLB (0.41) SMN1; SMN2HTTKMT2APOLBMAPT
SCHEMBL16636856 0.85 MAPT (0.45) SMN1; SMN2HTTKMT2APOLBMAPT
SCHEMBL17997393 0.84 CYP1A2 (0.38) SMN1; SMN2KMT2AMAPTNPC1RAB9A
SCHEMBL16637637 0.80 KDM4E (0.39) SMN1; SMN2HTTKMT2ARAB9ALMNA
SCHEMBL16636656 0.78 IL2 (0.49) HTTKMT2AMAPTSTIM1ORAI1
SCHEMBL31222089 0.78 L3MBTL1 (0.47) SMN1; SMN2KMT2AMAPTNPC1RAB9A
SCHEMBL16636870 0.77 IL2 (0.37) SMN1; SMN2KMT2APOLBSTIM1ORAI1
SCHEMBL16636934 0.76 IL2 (0.47) HTTKMT2ASTIM1ORAI1IL2

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-9611263-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2017-04-04 US disclosed
US-20160229845-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2016-08-11 US disclosed
WO-2015054283-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2015-04-16 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-20160229845-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 SMN1; SMN2 854/4885HTT 809/4885KMT2A 4706/4885

“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.