SCHEMBL1490433

SCHEMBL1490433

COC(=O)c1c(NC(=O)OCc2ccccc2)csc1-c1ccc(Cl)cn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
ELANE P08246 1/20 0.40
TACR3 P29371 1/20 0.39
POLB P06746 1/20 0.39
P2RX3 P56373 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
P2RX7 Q99572 1/20 0.39
PTGER1 P34995 1/20 0.39

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
SCHEMBL1490651 0.85 NPC1 (0.48) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL1490619 0.84 NPC1 (0.44) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3555247 0.80 NPC1 (0.58) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL1490577 0.79 HDAC3 (0.45) NPC1RAB9AL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL1490684 0.77 NPC1 (0.52) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL1490594 0.76 MGLL (0.52) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL1490425 0.76 RAB9A (0.48) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL1490217 0.75 NPC1 (0.52) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL1491014 0.75 HDAC3 (0.50) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL1490720 0.73 NPC1 (0.50) NPC1RAB9AKMT2ASMN1; SMN2MAPK1

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-8618307-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-12-31 US disclosed
EP-2477982-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2012-07-25 EP 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

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 NPC1 262/4885RAB9A 1174/4885L3MBTL1 3943/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 NPC1 262/4885RAB9A 1174/4885L3MBTL1 3943/4885

“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.