SCHEMBL3552633

SCHEMBL3552633

Nc1cscc1NC(=O)c1ccc(CNc2nc3ccc(CCN4CCOCC4)cc3s2)cc1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.66
AURKB Q96GD4 14/20 0.57
LRRK2 Q5S007 1/20 0.47

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
SCHEMBL6131202 0.89 HDAC1 (0.84) HDAC1AURKB
SCHEMBL1061039 0.79 HDAC1 (1.00) HDAC1AURKB
SCHEMBL211110 0.77 HDAC1 (0.80) HDAC1AURKB
SCHEMBL11918277 0.76 CYP3A4 (0.52) HDAC1
SCHEMBL213280 0.75 HDAC1 (0.85) HDAC1AURKB
SCHEMBL6131078 0.74 AURKB (0.79) HDAC1AURKBLRRK2
SCHEMBL210488 0.72 HDAC1 (0.64) HDAC1AURKB
SCHEMBL8350666 0.72 AURKB (0.78) HDAC1AURKBLRRK2
SCHEMBL2733826 0.72 HDAC1 (0.79) HDAC1
SCHEMBL213867 0.71 HDAC1 (0.86) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-20060058298-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2006-03-16 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-20060058298-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885AURKB 592/4885LRRK2 2421/4885

“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.