SCHEMBL10201182

SCHEMBL10201182

Cn1nc(-c2ccccc2)cc1-c1ccc(C(=O)Nc2ccccc2Cl)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 9/20 0.66
ORAI1 Q96D31 9/20 0.66
MAPT P10636 2/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
ESR1 P03372 1/20 0.55
ESRRG P62508 1/20 0.55
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL10201178 0.88 STIM1 (0.75) STIM1ORAI1MAPTRAB9AESR1
SCHEMBL10201144 0.87 MAPT (0.53) STIM1ORAI1MAPTNPC1RAB9A
SCHEMBL10201194 0.86 STIM1 (0.61) STIM1ORAI1MAPTNPC1RAB9A
SCHEMBL10201161 0.85 STIM1 (0.54) STIM1ORAI1MAPTNPC1RAB9A
SCHEMBL10201167 0.84 STIM1 (0.68) STIM1ORAI1MAPTNPC1RAB9A
SCHEMBL10201574 0.81 STIM1 (0.78) STIM1ORAI1MAPTRAB9AESR1
SCHEMBL10201129 0.81 STIM1 (0.85) STIM1ORAI1MAPTRAB9ATP53
SCHEMBL10201575 0.80 STIM1 (0.75) STIM1ORAI1MAPTRAB9ATP53
SCHEMBL10201572 0.80 STIM1 (1.00) STIM1ORAI1RAB9ATP53SMN1; SMN2
SCHEMBL1595087 0.79 ALDH1A1 (0.58) STIM1ORAI1MAPTNPC1RAB9A

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
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
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.