SCHEMBL3381999

SCHEMBL3381999

Nc1ccccc1NC(=O)CCCCCC/C(=N\O)c1ccc2ccccc2c1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 17/20 0.77
HDAC1 Q13547 17/20 0.77
HDAC2 Q92769 12/20 0.77
HDAC4 P56524 11/20 0.77
HDAC8 Q9BY41 10/20 0.77
HDAC10 Q969S8 10/20 0.77
HDAC6 Q9UBN7 10/20 0.77
HDAC7 Q8WUI4 9/20 0.77
HDAC11 Q96DB2 9/20 0.77
HDAC9 Q9UKV0 9/20 0.77
HDAC5 Q9UQL6 9/20 0.77
NCOR2 Q9Y618 4/20 0.63

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
SCHEMBL3382003 1.00 HDAC3 (0.77) HDAC3HDAC1HDAC2HDAC4HDAC8
SCHEMBL3381992 1.00 HDAC3 (0.77) HDAC3HDAC1HDAC2HDAC4HDAC8
SCHEMBL3379464 0.87 HDAC1 (1.00) HDAC3HDAC1HDAC2HDAC4HDAC8
SCHEMBL1938649 0.83 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC4HDAC8
SCHEMBL13783965 0.83 HDAC1 (0.77) HDAC3HDAC1HDAC2HDAC4HDAC8
SCHEMBL3383163 0.83 HDAC8 (1.00) HDAC3HDAC1HDAC2HDAC4HDAC8
SCHEMBL3383159 0.83 HDAC8 (1.00) HDAC3HDAC1HDAC2HDAC4HDAC8
SCHEMBL3383152 0.83 HDAC8 (1.00) HDAC3HDAC1HDAC2HDAC4HDAC8
SCHEMBL8241153 0.79 HDAC3 (1.00) HDAC3HDAC1HDAC2HDAC4HDAC8
SCHEMBL3383140 0.79 HDAC1 (0.76) HDAC3HDAC1HDAC2HDAC4HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280764-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2010-11-24 EP disclosed
US-20090181971-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. 2009-07-16 US disclosed
US-20090181971-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. 2009-07-16 US disclosed
US-20090181971-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. 2009-07-16 US disclosed
US-7288567-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2007-10-30 US disclosed
US-7288567-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2007-10-30 US disclosed
US-7288567-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2007-10-30 US disclosed
EP-1524262-A1 Inhibitors of histone deacetylase Methylgene, Inc. (CA) 2005-04-20 EP disclosed
EP-1280764-A2 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2003-02-05 EP disclosed
US-20020115826-A1 Inhibitors of histone deacetylase 92229129 QUEBEC INC. (CA) 2002-08-22 US disclosed
WO-2001070675-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2001-09-27 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 (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-20020115826-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 HDAC3 3/4885HDAC1 1/4885HDAC2 5/4885
US-20090181971-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HDAC3 3/4885HDAC1 1/4885HDAC2 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.