SCHEMBL4578091

SCHEMBL4578091

Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC(N3CCOCC3)CC2)nc1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 4/20 0.72
HDAC3 O15379 2/20 0.72
KCNH2 Q12809 15/20 0.71
HDAC1 Q13547 18/20 0.67
HDAC4 P56524 1/20 0.63
HDAC7 Q8WUI4 1/20 0.63
HDAC10 Q969S8 1/20 0.63
HDAC11 Q96DB2 1/20 0.63
HDAC8 Q9BY41 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
HDAC9 Q9UKV0 1/20 0.63
HDAC5 Q9UQL6 1/20 0.63

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
SCHEMBL4578327 0.92 HDAC2 (0.82) HDAC2HDAC3KCNH2HDAC1HDAC4
SCHEMBL4579001 0.90 HDAC1 (0.65) HDAC2HDAC3KCNH2HDAC1
SCHEMBL4578530 0.88 HDAC1 (0.68) HDAC2HDAC3HDAC1HDAC4HDAC7
SCHEMBL27898898 0.85 HDAC2 (0.62) HDAC2HDAC3KCNH2HDAC1HDAC4
SCHEMBL4578568 0.85 HDAC1 (0.63) HDAC2HDAC3HDAC1HDAC4HDAC7
SCHEMBL4324527 0.85 HDAC2 (0.77) HDAC2HDAC3KCNH2HDAC1HDAC4
SCHEMBL4430011 0.84 HDAC2 (0.83) HDAC2HDAC3KCNH2HDAC1HDAC4
SCHEMBL4579682 0.84 HDAC2 (1.00) HDAC2HDAC3KCNH2HDAC1
SCHEMBL1930404 0.83 HDAC2 (0.73) HDAC2HDAC3KCNH2HDAC1HDAC4
SCHEMBL20181475 0.83 KCNH2 (1.00) HDAC2HDAC3KCNH2HDAC1HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007720-B1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2013-12-25 EP disclosed
US-8598168-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2013-12-03 US disclosed
EP-2007720-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2008-12-31 EP disclosed
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US disclosed
WO-2007118137-A1 BENZAMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-10-18 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 (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 HDAC2 5/4885HDAC3 3/4885KCNH2 4025/4885

“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.