SCHEMBL1064829

SCHEMBL1064829

Nc1ccccc1NC(=O)C=Cc1ccc(C(Cc2ccccc2)NC2=COCO2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.49
HDAC2 Q92769 5/20 0.46
KDM1A O60341 1/20 0.46
MAOA P21397 1/20 0.46
HDAC4 P56524 4/20 0.45
MEF2D Q14814 3/20 0.45
EP300 Q09472 1/20 0.45
HDAC3 O15379 4/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44

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
SCHEMBL1064679 0.84 HDAC1 (0.51) HDAC1HDAC2HDAC4HDAC3HDAC6
SCHEMBL3228591 0.71 EGFR (0.71) HDAC1HDAC2MAOAHDAC4MEF2D
SCHEMBL3228583 0.71 EGFR (0.71) HDAC1HDAC2MAOAHDAC4MEF2D
SCHEMBL8028680 0.71 HDAC1 (0.60) HDAC1HDAC2KDM1AMAOAHDAC4
SCHEMBL5419765 0.69 POLB (0.32)
SCHEMBL3098407 0.69 HDAC1 (0.64) HDAC1HDAC2KDM1AMAOAHDAC4
SCHEMBL3098392 0.69 HDAC1 (0.64) HDAC1HDAC2KDM1AMAOAHDAC4
SCHEMBL8348228 0.69 HDAC1 (0.71) HDAC1HDAC2KDM1AMAOAHDAC4
SCHEMBL3099815 0.69 HDAC1 (0.61) HDAC1HDAC2KDM1AMAOAHDAC4
SCHEMBL3099825 0.69 HDAC1 (0.61) HDAC1HDAC2KDM1AMAOAHDAC4

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 5 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-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-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

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 1/4885HDAC2 5/4885KDM1A 41/4885
US-20060058298-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC2 5/4885KDM1A 41/4885

“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.