SCHEMBL16017229

SCHEMBL16017229

Cc1coc(C)c1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ STIM1 Q13586 3/20 0.46
▸ ORAI1 Q96D31 3/20 0.46
▸ ORAI2 Q96SN7 1/20 0.46
▸ IL2 P60568 6/20 0.39
▸ PTGS2 P35354 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ GPBAR1 Q8TDU6 1/20 0.35
▸ LMNA P02545 3/20 0.34
▸ GLA P06280 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TDP1 Q9NUW8 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
SCHEMBL16017274 0.90 NPC1 (0.50) NPC1RAB9ASTIM1ORAI1ORAI2
SCHEMBL16017207 0.89 STIM1 (0.42) NPC1RAB9ASTIM1ORAI1ORAI2
SCHEMBL16017237 0.88 STIM1 (0.44) NPC1RAB9ASTIM1ORAI1ORAI2
SCHEMBL16017239 0.88 STIM1 (0.44) NPC1RAB9ASTIM1ORAI1ORAI2
SCHEMBL16018214 0.87 STIM1 (0.55) NPC1RAB9ASTIM1ORAI1ORAI2
SCHEMBL16017213 0.83 GRM1 (0.48) NPC1RAB9AGAAMEN1KMT2A
SCHEMBL16017253 0.82 STIM1 (0.43) NPC1RAB9ASTIM1ORAI1ORAI2
SCHEMBL16017240 0.81 STIM1 (0.41) STIM1ORAI1ORAI2IL2MAPT
SCHEMBL29505146 0.81 IL2 (0.59) NPC1RAB9ASTIM1ORAI1ORAI2
SCHEMBL2596001 0.81 IL2 (0.59) NPC1RAB9ASTIM1ORAI1ORAI2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 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-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 NPC1 262/4885RAB9A 1174/4885STIM1 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.

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