SCHEMBL10201236

SCHEMBL10201236

CCn1nc(C(F)(F)F)cc1-c1sc(C(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 2/20 0.51
ORAI1 Q96D31 2/20 0.51
POLB P06746 3/20 0.43
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CCR6 P51684 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
USP7 Q93009 2/20 0.41
USP47 Q96K76 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
RORC P51449 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL10201213 0.90 SMN1; SMN2 (0.45) STIM1ORAI1MAPTLMNANPSR1
SCHEMBL10201541 0.89 POLB (0.50) STIM1ORAI1POLBMAPTLMNA
SCHEMBL10201249 0.89 POLB (0.46) STIM1ORAI1POLBMAPTLMNA
SCHEMBL10201229 0.88 STIM1 (0.54) STIM1ORAI1MAPTNPSR1NPC1
SCHEMBL10201232 0.87 STIM1 (0.54) STIM1ORAI1MAPTLMNANPSR1
SCHEMBL10201246 0.86 POLB (0.43) STIM1ORAI1POLBMAPTLMNA
SCHEMBL10201208 0.84 STIM1 (0.43) STIM1ORAI1LMNAUSP7USP47
SCHEMBL10201248 0.80 SMN1; SMN2 (0.47) STIM1ORAI1MAPTLMNANPSR1
SCHEMBL10201234 0.79 STIM1 (0.48) STIM1ORAI1MAPTLMNANPSR1
SCHEMBL10201540 0.79 MAPT (0.47) STIM1ORAI1MAPTLMNANPSR1

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-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 (2 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-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885POLB 4774/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885POLB 4774/4885

“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.