SCHEMBL16018145

SCHEMBL16018145

Cc1cocc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 4/20 0.52
▸ ORAI1 Q96D31 4/20 0.52
▸ ORAI2 Q96SN7 1/20 0.52
▸ NPC1 O15118 4/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ KDM4E B2RXH2 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ POLQ O75417 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 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
SCHEMBL16018222 0.91 STIM1 (0.53) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL12155449 0.87 STIM1 (0.57) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL16017253 0.87 STIM1 (0.43) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL16018144 0.86 STIM1 (0.52) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL16018181 0.86 STIM1 (0.66) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL12241424 0.85 STIM1 (0.58) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL14881535 0.85 STIM1 (0.49) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL12156285 0.85 STIM1 (0.51) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL12241422 0.85 RAB9A (0.54) STIM1ORAI1ORAI2NPC1RAB9A
SCHEMBL14881428 0.84 STIM1 (0.50) 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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