SCHEMBL4580588

SCHEMBL4580588

CN(C)[C@@H]1CCN(Cc2ccc(C(=O)Nc3cc(-c4cccnc4)ccc3N)cc2)C1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.67
HDAC3 O15379 9/20 0.51
HDAC2 Q92769 6/20 0.51
KCNH2 Q12809 2/20 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
SCHEMBL4580592 1.00 HDAC1 (0.67) HDAC1HDAC3HDAC2KCNH2
SCHEMBL4579877 0.90 HDAC1 (0.82) HDAC1HDAC3HDAC2
SCHEMBL4579885 0.90 HDAC1 (0.82) HDAC1HDAC3HDAC2
SCHEMBL4579837 0.86 HDAC1 (0.73) HDAC1HDAC3HDAC2KCNH2
SCHEMBL4579843 0.86 HDAC1 (0.73) HDAC1HDAC3HDAC2KCNH2
SCHEMBL4578934 0.83 HDAC1 (0.64) HDAC1HDAC3HDAC2KCNH2
SCHEMBL4578931 0.83 HDAC1 (0.64) HDAC1HDAC3HDAC2KCNH2
SCHEMBL4578742 0.83 HDAC1 (0.63) HDAC1HDAC3HDAC2KCNH2
SCHEMBL4580616 0.83 HDAC1 (0.63) HDAC1HDAC3HDAC2KCNH2
SCHEMBL4578738 0.83 HDAC1 (0.63) HDAC1HDAC3HDAC2KCNH2

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
CN-101466670-B Inhibitors of histone deacetylase METHYLGENE INC 2013-04-17 CN claimed
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
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 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.