SCHEMBL10201067

SCHEMBL10201067

Cn1nc(-c2ccco2)cc1-c1cnc(NC(=O)c2ccccc2F)s1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 6/20 0.75
ORAI1 Q96D31 6/20 0.75
CACNA1B Q00975 1/20 0.51
APBA1 Q02410 1/20 0.51
LCLAT1 Q6UWP7 5/20 0.46
USP2 O75604 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL10201072 0.90 STIM1 (0.60) STIM1ORAI1CACNA1BAPBA1L3MBTL1
SCHEMBL10201065 0.89 STIM1 (0.59) STIM1ORAI1CACNA1BAPBA1LCLAT1
SCHEMBL10201058 0.86 STIM1 (1.00) STIM1ORAI1NPC1ALDH1A1RAB9A
SCHEMBL10201054 0.86 STIM1 (1.00) STIM1ORAI1NPC1RAB9ASMN1; SMN2
SCHEMBL10201305 0.84 STIM1 (0.53) STIM1ORAI1LCLAT1USP2ATM
SCHEMBL10201066 0.82 STIM1 (0.75) STIM1ORAI1NPC1RAB9ASMN1; SMN2
SCHEMBL12155545 0.81 NPC1 (0.52) STIM1ORAI1LCLAT1KDM4ENPC1
SCHEMBL10201030 0.80 STIM1 (0.72) STIM1ORAI1KDM4ENPC1ALDH1A1
SCHEMBL10201055 0.79 STIM1 (0.86) STIM1ORAI1NPC1ALDH1A1RAB9A
SCHEMBL10255269 0.77 STIM1 (0.65) STIM1ORAI1NPC1ALDH1A1RAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336738-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2019-07-02 US disclosed
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-12-03 US disclosed
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-12-03 US disclosed
US-9079891-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-14 US disclosed
US-9079891-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-14 US disclosed
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-01 US disclosed
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-01 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 (3 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-10336738-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885CACNA1B 12/4885
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885CACNA1B 12/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885CACNA1B 12/4885

“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.