SCHEMBL4580666

SCHEMBL4580666

O=C(Cc1ccc(OCCOc2ccccc2)cc1)NO

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.71
HDAC10 Q969S8 2/20 0.71
KDM4E B2RXH2 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
CYP1A2 P05177 1/20 0.71
CYP2D6 P10635 1/20 0.71
PDE4A P27815 1/20 0.71
HIF1A Q16665 1/20 0.71
HDAC8 Q9BY41 3/20 0.65
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
HDAC1 Q13547 3/20 0.59
HDAC2 Q92769 2/20 0.59
MMP3 P08254 1/20 0.58
PKM P14618 1/20 0.54
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54

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
SCHEMBL4579963 0.89 HDAC6 (0.66) HDAC6HDAC10KDM4ESMN1; SMN2CYP1A2
SCHEMBL12687872 0.89 HDAC6 (0.66) HDAC6HDAC10KDM4ESMN1; SMN2CYP1A2
SCHEMBL12688086 0.88 HDAC6 (0.68) HDAC6HDAC10KDM4ESMN1; SMN2CYP1A2
SCHEMBL12688087 0.86 HDAC6 (0.67) HDAC6HDAC10KDM4ESMN1; SMN2CYP1A2
SCHEMBL12687892 0.85 HDAC6 (0.68) HDAC6HDAC10KDM4ESMN1; SMN2CYP1A2
SCHEMBL2777642 0.83 CYP1A2 (0.88) HDAC6HDAC10KDM4ESMN1; SMN2CYP1A2
SCHEMBL11296680 0.83 HDAC6 (0.71) HDAC6HDAC10KDM4ESMN1; SMN2CYP1A2
Bufexamac SCHEMBL25215 0.83 KDM4E (1.00) HDAC6HDAC10KDM4ESMN1; SMN2CYP1A2
Bufexamac SCHEMBL5076113 0.83 KDM4E (1.00) HDAC6HDAC10KDM4ESMN1; SMN2CYP1A2
Bufexamac SCHEMBL15456779 0.82 KDM4E (0.97) HDAC6HDAC10KDM4ESMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796330-B2 Inhibitors of histone deacetylase and prodrugs thereof METHYLGENE INC. (CA) 2014-08-05 US disclosed
US-8796330-B2 Inhibitors of histone deacetylase and prodrugs thereof METHYLGENE INC. (CA) 2014-08-05 US disclosed
US-8796330-B2 Inhibitors of histone deacetylase and prodrugs thereof METHYLGENE INC. (CA) 2014-08-05 US disclosed
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2014-01-23 US disclosed
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2014-01-23 US disclosed
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2014-01-23 US disclosed
EP-2573069-A2 Inhibitors of histone deacetylase and prodrugs thereof MethylGene Inc. (CA) 2013-03-27 EP disclosed
EP-2573069-A2 Inhibitors of histone deacetylase and prodrugs thereof MethylGene Inc. (CA) 2013-03-27 EP disclosed
EP-1973872-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF Methylgene, Inc. (CA) 2008-10-01 EP disclosed
WO-2008074132-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-26 WO disclosed
WO-2008074132-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-26 WO disclosed
US-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-19 US disclosed
US-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-19 US disclosed
US-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2008-06-19 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-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 HDAC6 10/4885HDAC10 11/4885KDM4E 71/4885
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 HDAC6 10/4885HDAC10 11/4885KDM4E 71/4885

“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.