SCHEMBL4580063

SCHEMBL4580063

CCCOC(=O)Nc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)c(N(C)C)c1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.70
HDAC2 Q92769 15/20 0.70
HDAC3 O15379 14/20 0.70
HDAC4 P56524 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
KCNH2 Q12809 1/20 0.50

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
SCHEMBL13833718 0.83 HDAC1 (1.00) HDAC1HDAC2HDAC3
SCHEMBL1068551 0.79 HDAC1 (0.68) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4578538 0.78 HDAC1 (0.66) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8100188 0.76 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC8
SCHEMBL13833333 0.75 HDAC1 (1.00) HDAC1HDAC2HDAC3
SCHEMBL4578185 0.75 HDAC1 (0.66) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4577585 0.74 HDAC1 (0.63) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4577958 0.73 HDAC1 (0.57) HDAC1HDAC2HDAC3
SCHEMBL4579052 0.73 HDAC1 (0.58) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL4580690 0.72 HDAC1 (0.61) HDAC1HDAC2HDAC3HDAC4HDAC7

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-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 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-20080132503-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC2 5/4885HDAC3 3/4885

“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.