SCHEMBL721476

SCHEMBL721476

Cn1nc(C(F)(F)F)cc1-c1cnc(N(C=O)c2ccccc2Cl)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 4/20 0.47
ORAI1 Q96D31 4/20 0.47
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RXRA P19793 2/20 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
SCHEMBL14163289 0.90 STIM1 (0.44) STIM1ORAI1RAB9ANPC1HDAC3
SCHEMBL721713 0.89 STIM1 (0.41) STIM1ORAI1RAB9ANPC1KDM4E
SCHEMBL721171 0.88 STIM1 (0.56) STIM1ORAI1RXRANR1H2NR1H3
SCHEMBL721462 0.83 STIM1 (0.39) STIM1ORAI1RAB9ANPC1HDAC3
SCHEMBL721295 0.83 STIM1 (0.45) STIM1ORAI1RAB9ANPC1HDAC3
SCHEMBL14158727 0.80 STIM1 (0.48) STIM1ORAI1RAB9ANPC1HDAC3
SCHEMBL720446 0.80 STIM1 (0.42) STIM1ORAI1RAB9ANPC1HDAC3
SCHEMBL724417 0.77 STIM1 (0.44) STIM1ORAI1
SCHEMBL723178 0.75 RAB9A (0.49) STIM1ORAI1RAB9ANPC1HDAC3
SCHEMBL10201033 0.71 STIM1 (0.78) STIM1ORAI1RAB9ANPC1HDAC3

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 6 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-9079891-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-14 US disclosed
EP-2609095-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2013-07-03 EP 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 1/4885RAB9A 1174/4885
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885RAB9A 1174/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885RAB9A 1174/4885

“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.