SCHEMBL4889723

SCHEMBL4889723

CCOc1cc(C2Nc3ccccc3NC3=C2C(=O)CC(c2ccc(OC)cc2)C3)ccc1OC(C)=O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
GAA P10253 2/20 0.60
MEN1 O00255 4/20 0.53
NPC1 O15118 3/20 0.51
ALDH1A1 P00352 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 2/20 0.42
POLB P06746 1/20 0.42
GLA P06280 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL4887717 0.92 MAPT (0.70) MAPTGAAMEN1NPC1ALDH1A1
SCHEMBL4884824 0.86 MAPT (0.79) MAPTGAAMEN1NPC1ALDH1A1
SCHEMBL12540244 0.84 NPC1 (0.57) MAPTGAAMEN1NPC1ALDH1A1
SCHEMBL12540663 0.84 MAPT (0.58) MAPTGAAMEN1NPC1ALDH1A1
SCHEMBL12540111 0.84 GAA (0.58) MAPTGAAMEN1NPC1ALDH1A1
SCHEMBL14941545 0.82 MAPT (0.49) MAPTGAAMEN1NPC1ALDH1A1
SCHEMBL12541011 0.81 GAA (0.63) MAPTGAAMEN1NPC1ALDH1A1
SCHEMBL12541017 0.80 GAA (0.66) MAPTGAAMEN1NPC1ALDH1A1
SCHEMBL12542070 0.78 HTT (0.61) MAPTGAAMEN1NPC1ALDH1A1
SCHEMBL14950938 0.78 MAPT (0.49) MAPTGAAMEN1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120245147-A1 INHIBITORS OF THAPSIGARGIN-INDUCED CELL DEATH NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-09-27 US disclosed
US-20080293699-A1 Inhibitors of thapsigargin-induced cell death BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2008-11-27 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-20120245147-A1 INHIBITORS OF THAPSIGARGIN-INDUCED CELL DEATH HSPA5, HSP90B1, ATP2A1 MAPT 2245/4885GAA 239/4885MEN1 3995/4885

“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.