SCHEMBL3553619

SCHEMBL3553619

COc1ccc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 1.00
HDAC2 Q92769 4/20 0.68
HDAC3 O15379 3/20 0.65
NCOR2 Q9Y618 2/20 0.65
HDAC6 Q9UBN7 1/20 0.55

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
SCHEMBL8348842 0.88 HDAC1 (0.78) HDAC1HDAC2HDAC3NCOR2
SCHEMBL13713672 0.85 HDAC1 (0.74) HDAC1HDAC2HDAC3NCOR2
SCHEMBL213540 0.84 HDAC1 (0.73) HDAC1HDAC2HDAC3NCOR2
SCHEMBL5584503 0.84 HDAC1 (0.72) HDAC1HDAC2HDAC3NCOR2
SCHEMBL1066040 0.84 HDAC1 (1.00) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL1065292 0.84 HDAC1 (1.00) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL1060932 0.83 HDAC1 (0.74) HDAC1
SCHEMBL1060934 0.83 HDAC1 (0.74) HDAC1
SCHEMBL8346346 0.83 HDAC1 (0.74) HDAC1
SCHEMBL3553447 0.83 HDAC1 (1.00) HDAC1HDAC2HDAC3NCOR2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US claimed
WO-2004005513-A2 METHODS FOR SPECIFICALLY INHIBITING HISTONE DEACETYLASE-7 AND 8 METHYLGENE, INC. (CA) 2004-01-15 WO claimed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-20060058298-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2006-03-16 US disclosed
US-6897220-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2005-05-24 US disclosed
WO-2004005513-A2 METHODS FOR SPECIFICALLY INHIBITING HISTONE DEACETYLASE-7 AND 8 METHYLGENE, INC. (CA) 2004-01-15 WO disclosed
WO-2003024448-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2003-03-27 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-20060058298-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.