SCHEMBL12756741

SCHEMBL12756741

O=C(O)c1c(NC(=O)C2COc3ccccc3O2)csc1-c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.56
▸ NPC1 O15118 3/20 0.56
▸ HTT P42858 4/20 0.53
▸ MAPT P10636 4/20 0.53
▸ LMNA P02545 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ ALDH1A1 P00352 4/20 0.52
▸ ROCK2 O75116 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ AKT1 P31749 1/20 0.50
▸ TSHR P16473 4/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ HPGD P15428 3/20 0.48
▸ ALOX15 P16050 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ ROCK1 Q13464 1/20 0.48
▸ RECQL P46063 1/20 0.48

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
SCHEMBL1954594 0.82 ANO1 (0.53) L3MBTL1NPC1HTTMAPTLMNA
SCHEMBL12756756 0.80 GLS (0.49) L3MBTL1NPC1HTTLMNAMEN1
SCHEMBL12831301 0.77 RAB9A (0.39) NPC1HTTMAPTLMNAMEN1
SCHEMBL12756737 0.77 NPY5R (0.48) MEN1KMT2APOLBROCK1
SCHEMBL12756753 0.76 NFKB1 (0.43) NPC1MAPTLMNAMEN1KMT2A
SCHEMBL12756657 0.75 DEGS1 (0.44) NPC1HTTLMNAALDH1A1SMN1; SMN2
SCHEMBL12830901 0.75 GLS (0.46) L3MBTL1NPC1HTTLMNAMEN1
SCHEMBL12756744 0.74 P2RX7 (0.40) MEN1KMT2A
SCHEMBL12830909 0.73 ANO1 (0.38) —
SCHEMBL12756545 0.73 ANO1 (0.49) NPC1MAPTLMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2014-02-20 — — US disclosed
US-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2014-02-20 — — US disclosed
WO-2011034962-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-03-24 — — WO disclosed
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-03-17 — — US disclosed
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-03-17 — — 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 (2 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-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 L3MBTL1 3943/4885NPC1 262/4885HTT 809/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 L3MBTL1 3943/4885NPC1 262/4885HTT 809/4885

“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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