SCHEMBL722990

SCHEMBL722990

Cn1nc(C(F)(F)F)cc1-c1sc(N(C=O)c2c(F)cccc2F)cc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
STIM1 Q13586 3/20 0.38
ORAI1 Q96D31 3/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL723200 0.82 RAB9A (0.51) RAB9ANPC1STIM1ORAI1HDAC3
SCHEMBL16009311 0.77 STIM1 (0.40) RAB9ANPC1STIM1ORAI1HDAC3
SCHEMBL721295 0.76 STIM1 (0.45) RAB9ANPC1STIM1ORAI1HDAC3
SCHEMBL14879677 0.76 STIM1 (0.48) RAB9ANPC1STIM1ORAI1HDAC3
SCHEMBL16009539 0.74 STIM1 (0.47) RAB9ANPC1STIM1ORAI1HDAC3
SCHEMBL725569 0.74
SCHEMBL14150283 0.73 STIM1 (0.55) RAB9ANPC1STIM1ORAI1HDAC3
SCHEMBL722504 0.73 STIM1 (0.56) RAB9ANPC1STIM1ORAI1HDAC3
SCHEMBL16009835 0.73 STIM1 (0.37) RAB9ANPC1STIM1ORAI1HDAC3
SCHEMBL10201226 0.73 HDAC3 (0.48) RAB9ANPC1STIM1ORAI1HDAC3

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 4 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
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 RAB9A 1174/4885NPC1 262/4885STIM1 17/4885
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 RAB9A 1174/4885NPC1 262/4885STIM1 17/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 RAB9A 1174/4885NPC1 262/4885STIM1 17/4885

“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.