SCHEMBL4579963

SCHEMBL4579963

O=C(Cc1ccc(CCCOc2ccccc2)cc1)NO

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.66
KDM4E B2RXH2 1/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2D6 P10635 1/20 0.66
PDE4A P27815 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
HIF1A Q16665 1/20 0.66
HDAC10 Q969S8 1/20 0.66
HDAC1 Q13547 7/20 0.59
HDAC2 Q92769 2/20 0.59
HDAC8 Q9BY41 4/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
FFAR1 O14842 2/20 0.57
TAAR1 Q96RJ0 1/20 0.54
S1PR1 P21453 1/20 0.53
S1PR3 Q99500 1/20 0.53
HDAC3 O15379 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
PPARG P37231 1/20 0.51

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
SCHEMBL12688086 0.95 HDAC6 (0.68) HDAC6KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL12688087 0.91 HDAC6 (0.67) HDAC6KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL4580666 0.89 HDAC6 (0.71) HDAC6KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL12687872 0.88 HDAC6 (0.66) HDAC6KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL4581295 0.84 HDAC8 (0.78) HDAC6HDAC10HDAC1HDAC2HDAC8
SCHEMBL4580449 0.84 HDAC8 (0.78) HDAC6HDAC10HDAC1HDAC2HDAC8
SCHEMBL4579041 0.82 HDAC8 (0.75) HDAC6HDAC10HDAC1HDAC2HDAC8
SCHEMBL18798890 0.81 FFAR1 (0.60) FFAR1S1PR1S1PR3PPARG
SCHEMBL15522678 0.80 HDAC1 (0.74) HDAC6KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL15522840 0.80 HDAC2 (0.77) HDAC6HDAC1HDAC2HDAC8MEN1

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 10/4885KDM4E 71/4885CYP1A2 2206/4885
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 HDAC6 10/4885KDM4E 71/4885CYP1A2 2206/4885

“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.