SCHEMBL10201561

SCHEMBL10201561

Cn1nc(-c2ccccc2F)cc1-c1ccc(C(=O)Nc2c(F)cncc2F)s1

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 11/20 0.80
ORAI1 Q96D31 11/20 0.80
ESRRG P62508 1/20 0.47
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL721220 0.93 STIM1 (0.69) STIM1ORAI1ESRRGHDAC3HDAC4
SCHEMBL29642107 0.93 STIM1 (0.69) STIM1ORAI1ESRRGHDAC3HDAC4
SCHEMBL10201572 0.89 STIM1 (1.00) STIM1ORAI1HDAC3HDAC4HDAC1
SCHEMBL10201563 0.88 STIM1 (0.62) STIM1ORAI1ESRRGHDAC3HDAC4
SCHEMBL10201139 0.87 STIM1 (0.70) STIM1ORAI1ESRRGHDAC3HDAC4
SCHEMBL10201603 0.84 STIM1 (0.73) STIM1ORAI1HDAC3HDAC4HDAC1
SCHEMBL10201194 0.83 STIM1 (0.61) STIM1ORAI1ESRRGHDAC3HDAC4
SCHEMBL10201141 0.83 STIM1 (0.82) STIM1ORAI1ESRRGHDAC3HDAC4
SCHEMBL10201127 0.83 STIM1 (0.65) STIM1ORAI1ESRRGHDAC3HDAC4
SCHEMBL10201129 0.83 STIM1 (0.85) STIM1ORAI1HDAC3HDAC4HDAC1

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 STIM1 17/4885ORAI1 1/4885ESRRG 1453/4885
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ESRRG 1453/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ESRRG 1453/4885

“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.