SCHEMBL10201239

SCHEMBL10201239

CC(C)n1nc(C(F)(F)F)cc1-c1sc(C(=O)Nc2ccccc2Cl)cc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 3/20 0.42
ORAI1 Q96D31 3/20 0.42
MAPT P10636 2/20 0.40
P2RY1 P47900 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
ALDH1A1 P00352 2/20 0.36
GLA P06280 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 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
SCHEMBL10201242 0.90 KLKB1 (0.44) STIM1ORAI1MAPTP2RY1SMN1; SMN2
SCHEMBL10254456 0.90 STIM1 (0.39) STIM1ORAI1MAPTP2RY1SMN1; SMN2
SCHEMBL10201238 0.90 STIM1 (0.42) STIM1ORAI1MAPTP2RY1SMN1; SMN2
SCHEMBL10201221 0.88 HDAC3 (0.47) STIM1ORAI1MAPTRAB9ANPC1
SCHEMBL10201246 0.87 POLB (0.43) STIM1ORAI1MAPTP2RY1SMN1; SMN2
SCHEMBL10201232 0.85 STIM1 (0.54) STIM1ORAI1MAPTSMN1; SMN2RAB9A
SCHEMBL10201241 0.83 CRACR2A (0.40) STIM1ORAI1P2RY1RAB9AALDH1A1
SCHEMBL10201240 0.81 KLKB1 (0.44) STIM1ORAI1MAPTP2RY1SMN1; SMN2
SCHEMBL10201219 0.77 HDAC3 (0.47) STIM1ORAI1MAPTRAB9ANPC1
SCHEMBL10262355 0.77 HDAC3 (0.47) STIM1ORAI1MAPTRAB9ANPC1

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 1/4885MAPT 1478/4885
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885MAPT 1478/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885MAPT 1478/4885

“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.