SCHEMBL4884895

SCHEMBL4884895

COc1ccc(C2CC(=O)C3=C(C2)Nc2ccccc2NC3c2ccc(NC(C)=O)cc2)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.73
MAPT P10636 2/20 0.73
MEN1 O00255 4/20 0.67
ALDH1A1 P00352 5/20 0.60
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPK1 P28482 2/20 0.44
USP2 O75604 1/20 0.44
RAB9A P51151 1/20 0.44
THRB P10828 1/20 0.44
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 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
SCHEMBL14950797 0.88 MAPT (0.55) GAAMAPTMEN1ALDH1A1KMT2A
SCHEMBL4884824 0.86 MAPT (0.79) GAAMAPTMEN1ALDH1A1KMT2A
SCHEMBL12540794 0.83 MAPT (0.75) GAAMAPTMEN1ALDH1A1LMNA
SCHEMBL12541028 0.83 MAPT (0.75) GAAMAPTMEN1ALDH1A1LMNA
SCHEMBL14940468 0.83 MAPT (0.71) GAAMAPTMEN1ALDH1A1LMNA
SCHEMBL12540362 0.81 MAPT (0.76) GAAMAPTMEN1ALDH1A1KMT2A
SCHEMBL12790070 0.81 GAA (0.73) GAAMAPTMEN1ALDH1A1KMT2A
SCHEMBL12540540 0.80 MAPT (0.70) GAAMAPTMEN1ALDH1A1MAPK1
SCHEMBL4887717 0.80 MAPT (0.70) GAAMAPTMEN1ALDH1A1KMT2A
SCHEMBL12790069 0.80 MEN1 (1.00) GAAMAPTMEN1ALDH1A1MAPK1

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 GAA 239/4885MAPT 2245/4885MEN1 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.