SCHEMBL213280

SCHEMBL213280

O=C(Nc1ccccc1O)c1ccc(CNc2nc3ccc(OCCN4CCOCC4)cc3s2)cc1

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.85
AURKB Q96GD4 17/20 0.75

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
SCHEMBL1061039 0.92 HDAC1 (1.00) HDAC1AURKB
SCHEMBL6131202 0.87 HDAC1 (0.84) HDAC1AURKB
SCHEMBL8350666 0.86 AURKB (0.78) HDAC1AURKB
SCHEMBL6131078 0.85 AURKB (0.79) HDAC1AURKB
SCHEMBL6919054 0.85 AURKB (0.77) HDAC1AURKB
Lithium Ion SCHEMBL6919059 0.84 AURKB (0.74) HDAC1AURKB
SCHEMBL1065095 0.84 AURKB (0.79) HDAC1AURKB
SCHEMBL213867 0.84 HDAC1 (0.86) HDAC1AURKB
SCHEMBL209760 0.84 HDAC1 (0.85) HDAC1AURKB
SCHEMBL209892 0.81 HDAC1 (0.68) HDAC1AURKB

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 4 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
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885AURKB 296/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885AURKB 425/4885

“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.