SCHEMBL1079356

SCHEMBL1079356

Nc1ccccc1NC(=O)c1ccc(CNc2nc3ccccc3[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 1.00
HDAC2 Q92769 4/20 0.61
HDAC3 O15379 3/20 0.61
NCOR2 Q9Y618 1/20 0.61
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
PKM P14618 2/20 0.58
KLF5 Q13887 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.56
TP53 P04637 1/20 0.56
PARP1 P09874 1/20 0.55
PARP2 Q9UGN5 1/20 0.55
HDAC8 Q9BY41 1/20 0.54
MAOB P27338 1/20 0.54
ADORA2A P29274 1/20 0.54

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
SCHEMBL15685102 0.84 HDAC1 (0.72) HDAC1HDAC2HDAC3HDAC8
SCHEMBL1079334 0.80 HDAC1 (0.76) HDAC1HDAC2HDAC3NCOR2RAB9A
SCHEMBL1060859 0.80 HDAC1 (1.00) HDAC1HDAC2HDAC3NCOR2RAB9A
SCHEMBL4979968 0.79 HDAC1 (0.65) HDAC1HDAC2HDAC3NCOR2RAB9A
SCHEMBL4985226 0.78 HDAC1 (0.64) HDAC1HDAC2HDAC3NCOR2RAB9A
SCHEMBL1064069 0.78 HDAC1 (1.00) HDAC1HDAC2HDAC3NCOR2HDAC8
SCHEMBL1064771 0.77 HDAC1 (1.00) HDAC1HDAC2HDAC3NCOR2
SCHEMBL3236154 0.77 RAB9A (0.77) HDAC1RAB9ANPC1PKMSMN1; SMN2
SCHEMBL3557005 0.77 HDAC1 (0.66) HDAC1HDAC2HDAC3NCOR2HDAC8
SCHEMBL15653127 0.76 HDAC1 (0.65) HDAC1HDAC2HDAC3NCOR2RAB9A

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 25 patents — showing the first 20. 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
EP-1976835-A2 HISTONE DEACETYLASE INHIBITORS Takeda San Diego, Inc. (US) 2008-10-08 EP claimed
WO-2007084390-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2007-07-26 WO claimed
US-20070173527-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2007-07-26 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
EP-1590340-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2010-04-07 EP disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
WO-2007084390-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2007-07-26 WO disclosed
WO-2007084390-A2 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2007-07-26 WO disclosed
US-20070173527-A1 HISTONE DEACETYLASE INHIBITORS TAKEDA SAN DIEGO, INC. 2007-07-26 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
WO-2004069823-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2004-08-19 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 (3 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 1/4885HDAC2 5/4885HDAC3 3/4885
US-20060058298-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC2 5/4885HDAC3 3/4885
US-20070173527-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC2 HDAC1 1/4885HDAC2 3/4885HDAC3 2/4885

“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.