SCHEMBL16018140

SCHEMBL16018140

Cc1snc(C(=O)Nc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 4/20 0.49
▸ ORAI1 Q96D31 4/20 0.49
▸ ORAI2 Q96SN7 1/20 0.49
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ POLQ O75417 1/20 0.40
▸ GRM5 P41594 2/20 0.37
▸ GPR55 Q9Y2T6 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PTGES O14684 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ RIPK1 Q13546 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ DEGS1 O15121 1/20 0.34

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
SCHEMBL16018173 0.92 STIM1 (0.49) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL14881396 0.90 STIM1 (0.51) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL16018171 0.86 STIM1 (0.62) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL16020544 0.85 STIM1 (0.50) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL16020545 0.83 STIM1 (0.52) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL14885575 0.82 STIM1 (0.49) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL14881583 0.82 STIM1 (0.49) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL12241547 0.82 RAB9A (0.55) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL12156029 0.81 STIM1 (0.50) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL12241416 0.81 STIM1 (0.52) STIM1ORAI1ORAI2NPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856240-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2018-01-02 — — US disclosed
US-20140256745-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2014-09-11 — — 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 (1 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-20140256745-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885

“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.

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