SCHEMBL10201065

SCHEMBL10201065

Cn1nc(-c2ccco2)cc1-c1cnc(NC(=O)c2ccccc2Cl)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 4/20 0.59
ORAI1 Q96D31 4/20 0.59
CACNA1B Q00975 1/20 0.51
APBA1 Q02410 1/20 0.51
PDE10A Q9Y233 1/20 0.47
WDR5 P61964 1/20 0.43
MAPT P10636 3/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LCLAT1 Q6UWP7 1/20 0.42
HPGD P15428 3/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL10201067 0.89 STIM1 (0.75) STIM1ORAI1CACNA1BAPBA1ALDH1A1
SCHEMBL10201059 0.86 STIM1 (0.79) STIM1ORAI1PDE10AALDH1A1SMN1; SMN2
SCHEMBL10201322 0.84 LCLAT1 (0.44) STIM1ORAI1CACNA1BAPBA1WDR5
SCHEMBL10201055 0.83 STIM1 (0.86) STIM1ORAI1PDE10AMAPTRXFP1
SCHEMBL10201072 0.83 STIM1 (0.60) STIM1ORAI1CACNA1BAPBA1SMN1; SMN2
SCHEMBL10201071 0.82 STIM1 (0.59) STIM1ORAI1PDE10AMAPTALDH1A1
SCHEMBL10201082 0.81 STIM1 (0.56) STIM1ORAI1PDE10AALDH1A1SMN1; SMN2
SCHEMBL12155529 0.81 RAB9A (0.52) WDR5TP53ALDH1A1SMN1; SMN2NPC1
SCHEMBL10201043 0.79 STIM1 (0.57) STIM1ORAI1PDE10APOLBALDH1A1
SCHEMBL10263079 0.79 STIM1 (0.57) STIM1ORAI1PDE10APOLBALDH1A1

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 8 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
WO-2012027710-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2012-03-01 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 (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.