SCHEMBL16636706

SCHEMBL16636706

Cc1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2ccccc2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 4/20 0.47
TP53 P04637 3/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
HTT P42858 3/20 0.46
LMNA P02545 3/20 0.44
CYP3A4 P08684 1/20 0.44
ADORA2A P29274 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 1/20 0.43
AKT1 P31749 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL16636788 0.90 MEN1 (0.44) MEN1KMT2ATDP1MAPTTP53
SCHEMBL16636744 0.89 IL2 (0.48) MEN1KMT2AMAPTTP53HTT
SCHEMBL16636856 0.88 MAPT (0.45) MEN1KMT2ATDP1MAPTTP53
SCHEMBL16636688 0.87 IL2 (0.44) MEN1KMT2AMAPTTP53HTT
SCHEMBL16636832 0.85 NPC1 (0.44) MEN1KMT2ATDP1MAPTTP53
SCHEMBL16636680 0.84 IL2 (0.39) MEN1KMT2AHTT
SCHEMBL16636669 0.84 POLB (0.41) MEN1KMT2ATDP1MAPTTP53
SCHEMBL16636692 0.83 SMN1; SMN2 (0.46) KMT2ATDP1TP53NPC1RAB9A
SCHEMBL31222127 0.79 ALDH1A1 (0.47) MEN1KMT2ATDP1MAPTTP53
SCHEMBL16636428 0.79 IL2 (0.45) MEN1KMT2AMAPTTP53NPC1

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 MEN1 2958/4885KMT2A 4706/4885TDP1 3096/4885

“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.