SCHEMBL1065358

SCHEMBL1065358

Nc1ccccc1NC(=O)c1ccc(CNc2cc(-c3ccccc3)[nH]n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 1.00
HDAC3 O15379 2/20 0.63
HDAC2 Q92769 2/20 0.63
NCOR2 Q9Y618 1/20 0.63
FLT3 P36888 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
MAPT P10636 1/20 0.57

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
SCHEMBL3543371 0.79 HDAC1 (0.68) HDAC1HDAC3HDAC2NCOR2
SCHEMBL212652 0.78 HDAC1 (0.80) HDAC1HDAC3HDAC2NCOR2HDAC8
SCHEMBL1064069 0.77 HDAC1 (1.00) HDAC1HDAC3HDAC2NCOR2HDAC8
SCHEMBL1064527 0.76 HDAC1 (0.74) HDAC1HDAC3HDAC2NCOR2HDAC8
SCHEMBL6564739 0.76 HDAC1 (0.58) HDAC1NPC1RAB9AMAPT
SCHEMBL23746024 0.75 HDAC1 (0.90) HDAC1HDAC3HDAC2NCOR2HDAC8
SCHEMBL1062263 0.75 HDAC1 (0.76) HDAC1HDAC3HDAC2NCOR2HDAC8
SCHEMBL1063736 0.75 HDAC1 (0.87) HDAC1HDAC3HDAC2NCOR2HDAC8
SCHEMBL1663611 0.75 NPC1 (0.89) HDAC1FLT3NPC1RAB9AMAPT
SCHEMBL210991 0.75 HDAC1 (0.70) HDAC1HDAC3HDAC2NCOR2HDAC8

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 13 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
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-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-20050288282-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2005-12-29 US disclosed
US-6897220-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2005-05-24 US 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 (2 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-20050288282-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC3 3/4885HDAC2 5/4885
US-20060058298-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.