SCHEMBL10201178

SCHEMBL10201178

Cn1nc(-c2ccccc2)cc1-c1ccc(C(=O)Nc2ccccc2F)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 8/20 0.75
ORAI1 Q96D31 8/20 0.75
TP53 P04637 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
MAPT P10636 1/20 0.58
RAB9A P51151 1/20 0.58
ESR1 P03372 2/20 0.55
ESRRG P62508 2/20 0.55
ESR2 Q92731 1/20 0.54
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47

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
SCHEMBL10201139 0.90 STIM1 (0.70) STIM1ORAI1TP53SMN1; SMN2MAPT
SCHEMBL10201129 0.90 STIM1 (0.85) STIM1ORAI1TP53SMN1; SMN2MAPT
SCHEMBL10201574 0.89 STIM1 (0.78) STIM1ORAI1TP53SMN1; SMN2MAPT
SCHEMBL10201182 0.88 STIM1 (0.66) STIM1ORAI1TP53SMN1; SMN2MAPT
SCHEMBL10201118 0.87 STIM1 (0.67) STIM1ORAI1TP53SMN1; SMN2RAB9A
SCHEMBL10201185 0.86 STIM1 (1.00) STIM1ORAI1TP53SMN1; SMN2MAPT
SCHEMBL10201572 0.86 STIM1 (1.00) STIM1ORAI1TP53SMN1; SMN2RAB9A
SCHEMBL10201191 0.85 MAPT (0.58) STIM1ORAI1TP53SMN1; SMN2MAPT
SCHEMBL10201150 0.85 STIM1 (0.68) STIM1ORAI1TP53SMN1; SMN2MAPT
SCHEMBL10201157 0.84 STIM1 (0.79) STIM1ORAI1TP53SMN1; SMN2MAPT

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
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 (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 1/4885TP53 2681/4885
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885TP53 2681/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885TP53 2681/4885

“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.