SCHEMBL1063809

SCHEMBL1063809

Nc1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2N)nc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.65
HDAC3 O15379 9/20 0.65
HDAC2 Q92769 9/20 0.65
HDAC8 Q9BY41 6/20 0.65
HDAC6 Q9UBN7 5/20 0.65
HDAC4 P56524 3/20 0.65
HDAC7 Q8WUI4 3/20 0.65
HDAC10 Q969S8 3/20 0.65
HDAC11 Q96DB2 3/20 0.65
HDAC9 Q9UKV0 3/20 0.65
HDAC5 Q9UQL6 3/20 0.65
P4HTM Q9NXG6 3/20 0.63
MEN1 O00255 1/20 0.63
AHR P35869 1/20 0.63
KMT2A Q03164 1/20 0.63
MAPK1 P28482 1/20 0.63
KDM4E B2RXH2 1/20 0.62
NPC1 O15118 1/20 0.62
ALDH1A1 P00352 1/20 0.62
RAB9A P51151 1/20 0.62

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
SCHEMBL14885264 0.94 HDAC1 (0.58) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL1064912 0.88 MDM4 (0.70) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL6383871 0.87 HDAC1 (0.53) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL6383663 0.86 MEN1 (0.53) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL4486547 0.85 MEN1 (0.58) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL6382366 0.85 MEN1 (0.58) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL13888951 0.85 HDAC1 (0.65) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL8235513 0.85 HDAC1 (0.61) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL6384168 0.85 HDAC1 (0.52) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL24629724 0.84 HDAC1 (0.65) HDAC1HDAC3HDAC2HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20050288282-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2005-12-29 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 (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-20050288282-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.