SCHEMBL4580677

SCHEMBL4580677

COc1ccc(C(=O)Nc2cc(-c3ccncc3)ccc2N)cc1F

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.61
HDAC2 Q92769 7/20 0.61
HDAC3 O15379 4/20 0.61
ABCB1 P08183 3/20 0.59
ABCC1 P33527 1/20 0.59
WDR5 P61964 1/20 0.53
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
PKM P14618 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL4581169 0.86 ABCB1 (0.61) HDAC1HDAC2ABCB1ABCC1WDR5
SCHEMBL1066986 0.83 HDAC2 (0.76) HDAC1HDAC2HDAC3ABCB1ALDH1A1
SCHEMBL15398040 0.82 HDAC2 (0.70) HDAC1HDAC2HDAC3ABCB1ABCC1
SCHEMBL14155932 0.82 CYP17A1 (0.58) ABCB1ABCC1WDR5MEN1ALDH1A1
SCHEMBL15397938 0.80 HDAC2 (0.58) HDAC1HDAC2HDAC3ALDH1A1
SCHEMBL4578820 0.80 HDAC2 (0.71) HDAC1HDAC2HDAC3MEN1ALDH1A1
SCHEMBL4581946 0.78 HDAC1 (0.83) HDAC1HDAC2HDAC3
SCHEMBL4579164 0.76 HDAC1 (0.71) HDAC1HDAC2HDAC3MEN1KMT2A
SCHEMBL29741582 0.76 HDAC1 (1.00) HDAC1HDAC2HDAC3
SCHEMBL4579545 0.76 HDAC1 (0.73) 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 8 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
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.