SCHEMBL16020153

SCHEMBL16020153

Cc1noc(C(C)C)c1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.43
▸ STIM1 Q13586 2/20 0.43
▸ ORAI1 Q96D31 2/20 0.43
▸ ORAI2 Q96SN7 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ GHSR Q92847 1/20 0.42
▸ FLT1 P17948 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ GAA P10253 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ AGTR1 P30556 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ IL2 P60568 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA2B P29275 1/20 0.38

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
SCHEMBL16020152 0.93 STIM1 (0.43) SMN1; SMN2STIM1ORAI1ORAI2CYP1A2
SCHEMBL16019810 0.90 CYP1A2 (0.43) SMN1; SMN2STIM1ORAI1CYP1A2CYP2C9
SCHEMBL16020576 0.89 STIM1 (0.50) SMN1; SMN2STIM1ORAI1ORAI2CYP2C9
SCHEMBL16017260 0.85 PTGS2 (0.44) SMN1; SMN2STIM1ORAI1ORAI2GHSR
SCHEMBL14887769 0.85 STIM1 (0.43) SMN1; SMN2STIM1ORAI1ORAI2CYP1A2
SCHEMBL16017239 0.84 STIM1 (0.44) SMN1; SMN2STIM1ORAI1ORAI2GHSR
SCHEMBL14887766 0.83 CYP1A2 (0.43) SMN1; SMN2STIM1ORAI1ORAI2CYP1A2
SCHEMBL16020573 0.81 STIM1 (0.50) STIM1ORAI1ORAI2CYP2C9MAPT
SCHEMBL14885683 0.81 STIM1 (0.64) SMN1; SMN2STIM1ORAI1ORAI2RAB9A
SCHEMBL16019817 0.79 SMN1; SMN2 (0.50) SMN1; SMN2STIM1ORAI1ORAI2CYP1A2

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 SMN1; SMN2 854/4885STIM1 17/4885ORAI1 1/4885

“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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