SCHEMBL16018222

SCHEMBL16018222

Cc1cocc1C(=O)Nc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 6/20 0.53
▸ ORAI1 Q96D31 6/20 0.53
▸ POLQ O75417 1/20 0.44
▸ SCN9A Q15858 1/20 0.43
▸ ORAI2 Q96SN7 1/20 0.43
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ ABL1 P00519 3/20 0.39
▸ ABCB1 P08183 2/20 0.39
▸ IL2 P60568 1/20 0.39
▸ TP53 P04637 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MAPK1 P28482 1/20 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
SCHEMBL16018145 0.91 STIM1 (0.52) STIM1ORAI1POLQSCN9AORAI2
SCHEMBL12155518 0.86 STIM1 (0.56) STIM1ORAI1POLQSCN9AORAI2
SCHEMBL16017232 0.86 SCN9A (0.45) STIM1ORAI1POLQSCN9AORAI2
SCHEMBL16020567 0.85 STIM1 (0.51) STIM1ORAI1POLQSCN9AORAI2
SCHEMBL16018188 0.85 STIM1 (0.54) STIM1ORAI1POLQSCN9AORAI2
SCHEMBL16018172 0.85 STIM1 (0.53) STIM1ORAI1POLQSCN9AORAI2
SCHEMBL12155804 0.85 STIM1 (0.55) STIM1ORAI1POLQSCN9AORAI2
SCHEMBL1701825 0.84 STIM1 (0.62) STIM1ORAI1SCN9AORAI2NPC1
SCHEMBL12156269 0.84 STIM1 (0.52) STIM1ORAI1POLQSCN9AORAI2
SCHEMBL1702582 0.83 STIM1 (0.53) 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 1/4885POLQ 4725/4885

“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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