SCHEMBL12541017

SCHEMBL12541017

COc1ccc(C2CC(=O)C3=C(C2)Nc2ccccc2NC3c2ccc(OC)c(Br)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.66
MAPT P10636 4/20 0.66
MEN1 O00255 6/20 0.61
ALDH1A1 P00352 5/20 0.54
NPC1 O15118 2/20 0.49
HTT P42858 2/20 0.48
HSD17B10 Q99714 3/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
NPSR1 Q6W5P4 3/20 0.45
GLA P06280 2/20 0.45
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 2/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.43
USP2 O75604 1/20 0.42
CYP3A4 P08684 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 0.85 MAPT (0.70) GAAMAPTMEN1ALDH1A1NPC1
SCHEMBL12541273 0.84 MAPT (0.60) GAAMAPTMEN1ALDH1A1NPC1
SCHEMBL12540111 0.83 GAA (0.58) GAAMAPTMEN1ALDH1A1NPC1
SCHEMBL12541011 0.82 GAA (0.63) GAAMAPTMEN1ALDH1A1NPC1
SCHEMBL12540362 0.82 MAPT (0.76) GAAMAPTMEN1ALDH1A1NPC1
SCHEMBL14950944 0.81 MAPT (0.57) GAAMAPTMEN1ALDH1A1NPC1
SCHEMBL14950868 0.81 MAPT (0.56) GAAMAPTMEN1ALDH1A1NPC1
SCHEMBL14950775 0.81 MAPT (0.56) GAAMAPTMEN1ALDH1A1NPC1
SCHEMBL12540244 0.81 NPC1 (0.57) GAAMAPTMEN1ALDH1A1NPC1
SCHEMBL12540776 0.81 MAPT (0.52) GAAMAPTMEN1ALDH1A1NPC1

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 1 patent. 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 claimed

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.