SCHEMBL1490399

SCHEMBL1490399

COC(=O)c1c(NC(=O)OCc2ccccc2)csc1-c1cnc(N2CCCCC2)nc1C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
POLB P06746 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
TSHR P16473 2/20 0.36
FSHR P23945 2/20 0.36
KDM1A O60341 2/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
KDM1B Q8NB78 2/20 0.36
RCOR1 Q9UKL0 2/20 0.36
ENPP2 Q13822 2/20 0.36

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
SCHEMBL1490217 0.76 NPC1 (0.52) MAPTPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL12756807 0.75 MAPT (0.44) MAPTPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL1490620 0.74 RAB9A (0.47) MAPTPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL1490720 0.74 NPC1 (0.50) MAPTPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL12756823 0.73 ALDH1A1 (0.45) MAPTNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL15480665 0.73 MAPT (0.41) MAPTPOLBSMN1; SMN2
SCHEMBL3555247 0.73 NPC1 (0.58) MAPTPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL1490684 0.72 NPC1 (0.52) MAPTPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL12756832 0.72 POLB (0.40) MAPTPOLBSMN1; SMN2
SCHEMBL1490577 0.72 HDAC3 (0.45) POLBNPC1RAB9ASMN1; 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 MAPT 1478/4885POLB 4774/4885NPC1 262/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MAPT 1478/4885POLB 4774/4885NPC1 262/4885

“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.