SCHEMBL767072

SCHEMBL767072

Cc1cc2scnc2cc1-c1ccc(C(=O)Nc2c(F)cccc2F)[se]1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 3/20 0.55
ORAI1 Q96D31 3/20 0.55
NPC1 O15118 8/20 0.42
RAB9A P51151 8/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HDAC4 P56524 1/20 0.36
IL2 P60568 2/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
KLK7 P49862 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL720496 0.80 STIM1 (0.64) STIM1ORAI1NPC1RAB9AMEN1
SCHEMBL767073 0.73 STIM1 (0.49) STIM1ORAI1NPC1RAB9AMEN1
SCHEMBL12155806 0.71 STIM1 (0.68) STIM1ORAI1NPC1RAB9AMEN1
SCHEMBL10201085 0.71 STIM1 (1.00) STIM1ORAI1NPC1RAB9AMEN1
SCHEMBL12155812 0.71 STIM1 (0.67) STIM1ORAI1NPC1RAB9AMEN1
SCHEMBL29642099 0.69 STIM1 (0.71) STIM1ORAI1NPC1RAB9AMEN1
SCHEMBL721821 0.69 STIM1 (0.71) STIM1ORAI1NPC1RAB9AMEN1
SCHEMBL720890 0.69 STIM1 (0.62) STIM1ORAI1NPC1RAB9AIL2
SCHEMBL12155838 0.69 NPC1 (0.56) STIM1ORAI1NPC1RAB9AMEN1
SCHEMBL12155821 0.68 STIM1 (0.53) STIM1ORAI1NPC1RAB9AMEN1

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
EP-2619200-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2013-07-31 EP disclosed
WO-2012040511-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-29 WO disclosed
US-20120071516-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-22 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-20120071516-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885NPC1 262/4885

“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.