SCHEMBL16018220

SCHEMBL16018220

Cc1nc(-c2ccccc2)oc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1

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 0.47
▸ GAA P10253 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.45
▸ DGAT1 O75907 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SMO Q99835 1/20 0.37
▸ TRPV4 Q9HBA0 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 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
SCHEMBL14885684 0.91 STIM1 (0.49) STIM1ORAI1ORAI2GAAKDM4E
SCHEMBL16018247 0.90 STIM1 (0.61) STIM1ORAI1ORAI2GAAKDM4E
SCHEMBL16017262 0.89 GAA (0.48) STIM1ORAI1ORAI2GAAKDM4E
SCHEMBL14881333 0.89 STIM1 (0.50) STIM1ORAI1ORAI2GAAKDM4E
SCHEMBL14885674 0.83 STIM1 (0.50) STIM1ORAI1ORAI2ALDH1A1LMNA
SCHEMBL16018228 0.82 STIM1 (0.49) STIM1ORAI1ORAI2GAAKDM4E
SCHEMBL16018207 0.82 STIM1 (0.51) STIM1ORAI1ORAI2GAAKDM4E
SCHEMBL12155519 0.82 STIM1 (0.57) STIM1ORAI1ORAI2KDM4EALDH1A1
SCHEMBL16018141 0.81 STIM1 (0.52) STIM1ORAI1ORAI2KDM4EALDH1A1
SCHEMBL16018203 0.81 STIM1 (0.48) STIM1ORAI1ORAI2DGAT1ALDH1A1

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 3 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
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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