SCHEMBL211111

SCHEMBL211111

NN(C(=O)c1ccc(CNc2nc3ccc(OC(=O)NCCN4CCOCC4)cc3s2)cc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 17/20 0.56
HDAC1 Q13547 1/20 0.56
ABL1 P00519 2/20 0.44

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
SCHEMBL211110 0.84 HDAC1 (0.80) AURKBHDAC1
SCHEMBL210488 0.80 HDAC1 (0.64) AURKBHDAC1
SCHEMBL8350666 0.76 AURKB (0.78) AURKBHDAC1
SCHEMBL6919054 0.75 AURKB (0.77) AURKBHDAC1
SCHEMBL1065095 0.73 AURKB (0.79) AURKBHDAC1
Lithium Ion SCHEMBL6919059 0.73 AURKB (0.74) AURKBHDAC1
SCHEMBL1061039 0.72 HDAC1 (1.00) AURKBHDAC1
SCHEMBL213280 0.71 HDAC1 (0.85) AURKBHDAC1
SCHEMBL6131078 0.70 AURKB (0.79) AURKBHDAC1
SCHEMBL4748705 0.70 CASR (0.60) AURKBABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 US disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 WO 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 AURKB 296/4885HDAC1 1/4885ABL1 1137/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 AURKB 425/4885HDAC1 1/4885ABL1 1122/4885

“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.