SCHEMBL4579545

SCHEMBL4579545

CN(C)c1ccc(C(=O)Nc2cc(-c3ccncc3)ccc2N)cc1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.73
HDAC2 Q92769 8/20 0.71
HDAC3 O15379 6/20 0.71
KIT P10721 1/20 0.65
SRC P12931 1/20 0.65
FLT3 P36888 1/20 0.65
ITK Q08881 1/20 0.65

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
SCHEMBL18653511 0.88 HDAC2 (0.75) HDAC1HDAC2HDAC3
SCHEMBL18671524 0.86 HDAC2 (0.70) HDAC1HDAC2HDAC3
SCHEMBL18670949 0.86 HDAC2 (0.70) HDAC1HDAC2HDAC3
SCHEMBL18670967 0.86 HDAC1 (0.82) HDAC1HDAC2HDAC3
SCHEMBL1067122 0.84 HDAC2 (0.74) HDAC1HDAC2HDAC3
SCHEMBL15397990 0.84 HDAC1 (0.65) HDAC1HDAC2HDAC3
SCHEMBL1066986 0.83 HDAC2 (0.76) HDAC1HDAC2HDAC3
SCHEMBL29741582 0.83 HDAC1 (1.00) HDAC1HDAC2HDAC3
SCHEMBL31108955 0.82 HDAC2 (0.70) HDAC1HDAC2HDAC3
SCHEMBL15397955 0.81 HDAC1 (0.80) HDAC1HDAC2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101466670-B Inhibitors of histone deacetylase METHYLGENE INC 2013-04-17 CN claimed
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
CN-101466670-B Inhibitors of histone deacetylase METHYLGENE INC 2013-04-17 CN disclosed
CN-101466670-A Benzamide derivatives as inhibitors of histone deacetylase METHYLGENE INC (CA) 2009-06-24 CN 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 1/4885HDAC2 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.