SCHEMBL10201191

SCHEMBL10201191

Cn1nc(-c2ccccc2)cc1-c1sc(C(=O)Nc2ccccc2F)cc1F

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
RAB9A P51151 2/20 0.58
STIM1 Q13586 6/20 0.56
ORAI1 Q96D31 6/20 0.56
TP53 P04637 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ESR1 P03372 1/20 0.42
ESRRG P62508 1/20 0.42
ESR2 Q92731 1/20 0.42

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
SCHEMBL10201195 0.91 MAPT (0.55) MAPTRAB9ASTIM1ORAI1TP53
SCHEMBL10201189 0.90 STIM1 (0.63) MAPTRAB9ASTIM1ORAI1
SCHEMBL10201188 0.88 MAPT (0.52) MAPTRAB9ASTIM1ORAI1TP53
SCHEMBL10201178 0.85 STIM1 (0.75) MAPTRAB9ASTIM1ORAI1TP53
SCHEMBL10201214 0.83 HDAC3 (0.50) MAPTRAB9ASTIM1ORAI1TP53
SCHEMBL10201193 0.81 STIM1 (0.60) MAPTRAB9ASTIM1ORAI1
SCHEMBL10201224 0.78 STIM1 (0.57) MAPTRAB9ASTIM1ORAI1SMN1; SMN2
SCHEMBL10262741 0.76 HDAC3 (0.48) MAPTRAB9ASTIM1ORAI1TP53
SCHEMBL10201574 0.75 STIM1 (0.78) MAPTRAB9ASTIM1ORAI1TP53
SCHEMBL10201259 0.75 SMN1; SMN2 (0.51) MAPTRAB9ASTIM1ORAI1TP53

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
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
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 MAPT 1478/4885RAB9A 1174/4885STIM1 17/4885
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MAPT 1478/4885RAB9A 1174/4885STIM1 17/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MAPT 1478/4885RAB9A 1174/4885STIM1 17/4885

“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.