SCHEMBL16636788

SCHEMBL16636788

Cc1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2ccccc2F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
MAPT P10636 4/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
PTPRC P08575 2/20 0.43
CTSL P07711 1/20 0.43
PTPN1 P18031 1/20 0.43
CTSS P25774 1/20 0.43
PTPN13 Q12923 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 1/20 0.43
TP53 P04637 3/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA2A P29274 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
SCHEMBL16637313 0.90 TP53 (0.42) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL16636706 0.90 MEN1 (0.47) MEN1KMT2ATDP1RAB9ANPC1
SCHEMBL16636521 0.88 NPC1 (0.45) TDP1RAB9ANPC1MAPTLMNA
SCHEMBL16637129 0.88 NR3C1 (0.36) KMT2ARAB9ANPC1KDM4EALDH1A1
SCHEMBL16637004 0.87 IL2 (0.39) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL23833354 0.87 ALDH1A1 (0.35) KMT2ARAB9ANPC1MAPTLMNA
SCHEMBL16636848 0.86 MGAM (0.37) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL18038398 0.85 BUB1 (0.39) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL29420780 0.85 BUB1 (0.39) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL16636702 0.85 MAOB (0.38) MEN1KMT2ARAB9ANPC1KDM4E

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.