SCHEMBL3383071

SCHEMBL3383071

O=C(CCCCCCC(=O)c1ccc(-c2ccccc2)cn1)NO

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.66
HDAC8 Q9BY41 13/20 0.66
HDAC2 Q92769 9/20 0.59
HDAC6 Q9UBN7 7/20 0.59
HDAC3 O15379 7/20 0.59
HDAC4 P56524 6/20 0.59
HDAC7 Q8WUI4 6/20 0.59
HDAC10 Q969S8 6/20 0.59
HDAC11 Q96DB2 6/20 0.59
HDAC9 Q9UKV0 6/20 0.59
HDAC5 Q9UQL6 6/20 0.59

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
SCHEMBL3380686 0.86 HDAC1 (0.51) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL3384105 0.83 LTB4R (0.52) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL3381937 0.82 HDAC1 (0.71) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL1520838 0.80 HDAC1 (1.00) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL3378760 0.79 HDAC1 (0.70) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL7172786 0.78 LTB4R (0.47) HDAC1HDAC8HDAC2HDAC6HDAC3
Biphenyl SCHEMBL3125392 0.76 HDAC1 (0.71) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL13783922 0.75 HDAC1 (0.69) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL12723128 0.75 HIF1A (0.61) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL7044810 0.74 HDAC1 (1.00) HDAC1HDAC8HDAC2HDAC6HDAC3

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 7 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-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 HDAC1 1/4885HDAC8 9/4885HDAC2 5/4885
US-20090181971-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 HDAC1 1/4885HDAC8 9/4885HDAC2 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.