SCHEMBL1067366

SCHEMBL1067366

NN(C(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1)c1cccc(-c2cccs2)c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.65
HDAC3 O15379 10/20 0.65
HDAC2 Q92769 10/20 0.65
HDAC8 Q9BY41 8/20 0.65
KCNH2 Q12809 1/20 0.50
HDAC4 P56524 7/20 0.49
HDAC7 Q8WUI4 7/20 0.49
HDAC10 Q969S8 7/20 0.49
HDAC11 Q96DB2 7/20 0.49
HDAC6 Q9UBN7 7/20 0.49
HDAC9 Q9UKV0 7/20 0.49
HDAC5 Q9UQL6 7/20 0.49
KDM1A O60341 1/20 0.49
CYP3A4 P08684 1/20 0.49
F3 P13726 1/20 0.49
NCOR2 Q9Y618 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
SCHEMBL1066523 0.92 HDAC1 (0.64) HDAC1HDAC3HDAC2HDAC8KCNH2
SCHEMBL4580090 0.89 HDAC1 (0.59) HDAC1HDAC3HDAC2HDAC8KCNH2
SCHEMBL4580183 0.89 HDAC1 (0.58) HDAC1HDAC3HDAC2HDAC8KCNH2
SCHEMBL4582008 0.85 HDAC1 (0.59) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL148310 0.83 HDAC1 (0.65) HDAC1HDAC3HDAC2HDAC8KCNH2
SCHEMBL4579365 0.81 HDAC1 (0.51) HDAC1HDAC3HDAC2HDAC8
SCHEMBL1066960 0.79 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC8KCNH2
SCHEMBL1066520 0.78 HDAC1 (0.83) HDAC1HDAC3HDAC2HDAC8KCNH2
SCHEMBL4577475 0.78 HDAC1 (0.44) HDAC1HDAC3HDAC2HDAC8
SCHEMBL3645718 0.76 HDAC1 (0.81) HDAC1HDAC3HDAC2HDAC8KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 US disclosed
EP-1663953-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-06-07 EP disclosed
WO-2005030705-A9 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2006-04-20 WO disclosed
WO-2005030704-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 WO disclosed
WO-2005030705-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 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-20080132459-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.