SCHEMBL10201232

SCHEMBL10201232

CCn1nc(C(F)(F)F)cc1-c1sc(C(=O)Nc2ccccc2Cl)cc1N

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 2/20 0.54
ORAI1 Q96D31 2/20 0.54
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
MAPT P10636 3/20 0.40
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
PTGES O14684 1/20 0.37
MAPK14 Q16539 1/20 0.37
GAA P10253 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
GLA P06280 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL10201235 0.90 STIM1 (0.46) STIM1ORAI1NPC1RAB9AMAPT
SCHEMBL10254454 0.90 STIM1 (0.50) STIM1ORAI1NPC1RAB9AMAPT
SCHEMBL10201229 0.90 STIM1 (0.54) STIM1ORAI1NPC1RAB9AMAPT
SCHEMBL10201221 0.88 HDAC3 (0.47) STIM1ORAI1NPC1RAB9AMAPT
SCHEMBL10201261 0.87 NPC1 (0.45) STIM1ORAI1NPC1RAB9AMAPT
SCHEMBL10201236 0.87 STIM1 (0.51) STIM1ORAI1NPC1RAB9AMAPT
SCHEMBL10201239 0.85 STIM1 (0.42) STIM1ORAI1NPC1RAB9AMAPT
SCHEMBL10201233 0.83 STIM1 (0.45) STIM1ORAI1RAB9AALDH1A1KDM4E
SCHEMBL10201234 0.81 STIM1 (0.48) STIM1ORAI1NPC1RAB9AMAPT
SCHEMBL10201219 0.77 HDAC3 (0.47) STIM1ORAI1NPC1RAB9AMAPT

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 1/4885NPC1 262/4885
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885NPC1 262/4885
US-20120053210-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.