SCHEMBL4579649

SCHEMBL4579649

O=C(Cc1ccc(CCCCc2ccc(C(F)(F)F)cc2)cc1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 1.00
HDAC8 Q9BY41 7/20 1.00
LTA4H P09960 1/20 0.51
EPHX2 P34913 1/20 0.51
MMP1 P03956 2/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC6 Q9UBN7 1/20 0.49
NLRP3 Q96P20 1/20 0.49
CNR2 P34972 1/20 0.49

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
SCHEMBL15522678 0.86 HDAC1 (0.74) HDAC1HDAC8HDAC7HDAC6
SCHEMBL10094801 0.86 HDAC1 (0.75) HDAC1HDAC8LTA4HEPHX2NLRP3
SCHEMBL4579240 0.86 HDAC1 (1.00) HDAC1HDAC8HDAC6
SCHEMBL22190367 0.85 HDAC1 (0.74) HDAC1HDAC8MMP1HDAC7HDAC6
SCHEMBL17054179 0.81 HDAC1 (0.69) HDAC1HDAC8MMP1HDAC7HDAC6
SCHEMBL8249818 0.81 HDAC1 (0.69) HDAC1HDAC8HDAC7HDAC6
SCHEMBL14188102 0.81 HDAC1 (0.68) HDAC1HDAC8LTA4HEPHX2HDAC7
SCHEMBL14188237 0.80 HDAC1 (0.67) HDAC1HDAC8
SCHEMBL4579115 0.80 HDAC1 (0.67) HDAC1HDAC8HDAC7HDAC6
SCHEMBL4578260 0.80 HDAC1 (1.00) HDAC1HDAC8EPHX2HDAC6CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF METHYLGENE INC. (CA) 2014-01-23 US claimed
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-8759400-B2 Histone deacetylase inhibitors for enhancing activity of antifungal agents METHYLGENE INC. (CA) 2014-06-24 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
WO-2012021982-A1 ANTIFUNGAL AGENTS AND USES THEREOF METHYLGENE INC. (CA) 2012-02-23 WO disclosed
CN-101610996-A Histone deacetylase inhibitors and prodrugs thereof METHYLGENE INC (CA) 2009-12-23 CN 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
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
WO-2008021944-A2 POTENTIATION OF ANTIFUNGAL COMPOUNDS METHYLGENE INC. (CA) 2008-02-21 WO disclosed
WO-2007072179-A2 HISTONE DEACETYLASE INHIBITORS FOR ENHANCING ACTIVITY OF ANTIFUNGAL AGENTS METHYLGENE, INC. (CA) 2007-06-28 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-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 HDAC1 1/4885HDAC8 9/4885LTA4H 1675/4885
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 HDAC1 1/4885HDAC8 9/4885LTA4H 1675/4885

“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.