SCHEMBL10201246

SCHEMBL10201246

CC(C)n1nc(C(F)(F)F)cc1-c1sc(C(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
MAPT P10636 4/20 0.42
LMNA P02545 2/20 0.42
CCR6 P51684 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
USP7 Q93009 1/20 0.41
USP47 Q96K76 1/20 0.41
STIM1 Q13586 2/20 0.40
ORAI1 Q96D31 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
RORC P51449 1/20 0.39
P2RY1 P47900 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 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
SCHEMBL10201250 0.90 SMN1; SMN2 (0.45) MAPTLMNANPSR1KMT2AALDH1A1
SCHEMBL10201541 0.89 POLB (0.50) POLBMAPTLMNACCR6NPSR1
SCHEMBL10201238 0.88 STIM1 (0.42) MAPTSTIM1ORAI1KMT2AALDH1A1
SCHEMBL10201239 0.87 STIM1 (0.42) MAPTLMNASTIM1ORAI1KMT2A
SCHEMBL10201236 0.86 STIM1 (0.51) POLBMAPTLMNACCR6NPSR1
SCHEMBL10201255 0.84 CRACR2A (0.39) LMNASTIM1ORAI1ALDH1A1P2RY1
SCHEMBL10201240 0.79 KLKB1 (0.44) MAPTLMNANPSR1STIM1ORAI1
SCHEMBL10201540 0.79 MAPT (0.47) MAPTLMNANPSR1STIM1ORAI1
SCHEMBL10256646 0.79 HDAC3 (0.45) POLBMAPTLMNANPSR1STIM1
SCHEMBL10254456 0.77 STIM1 (0.39) MAPTLMNASTIM1ORAI1ALDH1A1

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 6 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
WO-2012027710-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2012-03-01 WO 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 (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 POLB 4774/4885MAPT 1478/4885LMNA 1306/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 POLB 4774/4885MAPT 1478/4885LMNA 1306/4885

“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.