SCHEMBL4580669

SCHEMBL4580669

Nc1ccc(-c2cccs2)cc1NC(=O)c1cnc(N2CCOCC2)nc1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.68
HDAC3 O15379 8/20 0.65
HDAC2 Q92769 7/20 0.65
KCNH2 Q12809 3/20 0.64

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
SCHEMBL4579001 0.92 HDAC1 (0.65) HDAC1HDAC3HDAC2KCNH2
SCHEMBL4578779 0.90 HDAC3 (0.80) HDAC1HDAC3HDAC2KCNH2
SCHEMBL4578327 0.89 HDAC2 (0.82) HDAC1HDAC3HDAC2KCNH2
SCHEMBL1068434 0.86 HDAC1 (0.71) HDAC1HDAC3HDAC2KCNH2
SCHEMBL1083551 0.83 HDAC1 (0.61) HDAC1HDAC3HDAC2KCNH2
SCHEMBL4578091 0.81 HDAC2 (0.72) HDAC1HDAC3HDAC2KCNH2
SCHEMBL17756941 0.81 HDAC1 (1.00) HDAC1HDAC3HDAC2
SCHEMBL17832583 0.81 HDAC1 (1.00) HDAC1HDAC3HDAC2
SCHEMBL1063737 0.81 HDAC1 (0.75) HDAC1HDAC3HDAC2KCNH2
SCHEMBL23518710 0.80 HDAC1 (0.80) HDAC1HDAC3HDAC2

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 7 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
US-20080132503-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2008-06-05 US 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 HDAC1 1/4885HDAC3 3/4885HDAC2 5/4885

“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.