SCHEMBL10201213

SCHEMBL10201213

CCn1nc(C(F)(F)F)cc1-c1sc(C(=O)Nc2ccccc2F)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
MAPT P10636 4/20 0.45
HTT P42858 2/20 0.45
STIM1 Q13586 1/20 0.44
ORAI1 Q96D31 1/20 0.44
RAB9A P51151 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
NPC1 O15118 2/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 3/20 0.42
KLKB1 P03952 1/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
ALDH1A1 P00352 3/20 0.39
PLA2G1B P04054 1/20 0.39
PKM P14618 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL10201236 0.90 STIM1 (0.51) SMN1; SMN2MAPTHTTSTIM1ORAI1
SCHEMBL10201208 0.90 STIM1 (0.43) SMN1; SMN2HTTSTIM1ORAI1RAB9A
SCHEMBL10201248 0.89 SMN1; SMN2 (0.47) SMN1; SMN2MAPTHTTSTIM1ORAI1
SCHEMBL10201234 0.89 STIM1 (0.48) SMN1; SMN2MAPTHTTSTIM1ORAI1
SCHEMBL10201540 0.88 MAPT (0.47) SMN1; SMN2MAPTHTTSTIM1ORAI1
SCHEMBL10201235 0.86 STIM1 (0.46) SMN1; SMN2MAPTHTTSTIM1ORAI1
SCHEMBL10201250 0.86 SMN1; SMN2 (0.45) SMN1; SMN2MAPTHTTRAB9ANPSR1
SCHEMBL10201229 0.81 STIM1 (0.54) SMN1; SMN2MAPTSTIM1ORAI1RAB9A
SCHEMBL10201247 0.79 STIM1 (0.38) SMN1; SMN2MAPTHTTSTIM1ORAI1
SCHEMBL10256646 0.79 HDAC3 (0.45) SMN1; SMN2MAPTHTTSTIM1ORAI1

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 SMN1; SMN2 854/4885MAPT 1478/4885HTT 809/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 SMN1; SMN2 854/4885MAPT 1478/4885HTT 809/4885

“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.