SCHEMBL8246767

SCHEMBL8246767

O=C(/C=C/c1ccc(CNCCc2c(CCCO)[nH]c3ccccc23)cc1)NO

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.72
HDAC2 Q92769 12/20 0.72
HDAC3 O15379 10/20 0.72
HDAC6 Q9UBN7 9/20 0.72
HDAC4 P56524 8/20 0.72
HDAC8 Q9BY41 8/20 0.72
HDAC7 Q8WUI4 7/20 0.72
HDAC10 Q969S8 7/20 0.72
HDAC11 Q96DB2 7/20 0.72
HDAC9 Q9UKV0 7/20 0.72
HDAC5 Q9UQL6 7/20 0.72
NCOR2 Q9Y618 2/20 0.72
TET3 O43151 1/20 0.72
BRD4 O60885 1/20 0.72
FOXO1 Q12778 1/20 0.72
TET2 Q6N021 1/20 0.72
PIK3C3 Q8NEB9 1/20 0.72
TET1 Q8NFU7 1/20 0.72
KCNH2 Q12809 7/20 0.71

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
SCHEMBL13949998 0.88 HDAC1 (0.78) HDAC1HDAC2HDAC3HDAC6HDAC4
SCHEMBL15482197 0.86 HDAC1 (0.75) HDAC1HDAC2HDAC3HDAC6HDAC4
SCHEMBL13949969 0.85 HDAC1 (0.79) HDAC1HDAC2HDAC3HDAC6HDAC4
SCHEMBL13950002 0.84 HDAC1 (0.50) HDAC1HDAC2HDAC3HDAC6HDAC4
Panobinostat SCHEMBL183197 0.84 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC6HDAC4
SCHEMBL13950006 0.84 HDAC1 (0.80) HDAC1HDAC2HDAC3HDAC6HDAC4
Panobinostat SCHEMBL22773814 0.84 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC6HDAC4
Panobinostat SCHEMBL164801 0.84 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC6HDAC4
SCHEMBL13949972 0.83 HDAC1 (1.00) HDAC1HDAC2HDAC3HDAC6HDAC4
Panobinostat SCHEMBL20165843 0.83 HDAC1 (0.98) HDAC1HDAC2HDAC3HDAC6HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176849-A1 DEACETYLASE INHIBITORS SECURA BIO, INC. 2008-07-24 US disclosed
US-20080176849-A1 DEACETYLASE INHIBITORS SECURA BIO, INC. 2008-07-24 US disclosed
WO-2007021682-A1 METHOD OF USE OF DEACETYLASE INHIBITORS NOVARTIS AG (CH) 2007-02-22 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-20080176849-A1 DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC6 HDAC1 1/4885HDAC2 9/4885HDAC3 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.