SCHEMBL16018189

SCHEMBL16018189

Cc1nc(C)c(C(=O)Nc2ccc(-c3cc4c(cc3C)OC(F)(F)O4)cn2)o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 5/20 0.52
▸ ORAI1 Q96D31 5/20 0.52
▸ HSD17B10 Q99714 5/20 0.45
▸ ALDH1A1 P00352 5/20 0.45
▸ POLB P06746 3/20 0.42
▸ USP2 O75604 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ ORAI2 Q96SN7 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ SCN9A Q15858 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MEN1 O00255 1/20 0.40

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
SCHEMBL14881333 0.90 STIM1 (0.50) STIM1ORAI1HSD17B10ALDH1A1POLB
SCHEMBL14885684 0.88 STIM1 (0.49) STIM1ORAI1HSD17B10ALDH1A1POLB
SCHEMBL14885688 0.88 STIM1 (0.52) STIM1ORAI1HSD17B10ALDH1A1POLB
SCHEMBL14887577 0.87 HSD17B10 (0.55) STIM1ORAI1HSD17B10ALDH1A1POLB
SCHEMBL16018223 0.87 STIM1 (0.51) STIM1ORAI1ALDH1A1ORAI2SCN9A
SCHEMBL16018169 0.85 STIM1 (0.53) STIM1ORAI1HSD17B10ALDH1A1POLB
SCHEMBL16018235 0.85 STIM1 (0.53) STIM1ORAI1ORAI2SCN9ANPC1
SCHEMBL16018165 0.84 STIM1 (0.53) STIM1ORAI1ORAI2SCN9ANPC1
SCHEMBL16020572 0.83 STIM1 (0.48) STIM1ORAI1ALDH1A1ORAI2SCN9A
SCHEMBL16018168 0.82 STIM1 (0.51) STIM1ORAI1ORAI2SCN9ASMN1; SMN2

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 1/4885HSD17B10 3352/4885

“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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