SCHEMBL4580313

SCHEMBL4580313

O=C(NO)c1ccc(CCCCCc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 1.00
HDAC8 Q9BY41 9/20 0.90
HDAC6 Q9UBN7 8/20 0.68
HDAC2 Q92769 6/20 0.68
HDAC3 O15379 4/20 0.68
HDAC7 Q8WUI4 4/20 0.68
HDAC10 Q969S8 3/20 0.68
HDAC4 P56524 3/20 0.68
HDAC11 Q96DB2 2/20 0.68
HDAC9 Q9UKV0 2/20 0.68
HDAC5 Q9UQL6 2/20 0.68
ALOX5 P09917 1/20 0.62
HSP90AA1 P07900 1/20 0.60
KCNH2 Q12809 1/20 0.59
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
IDO1 P14902 1/20 0.59
ALOX15 P16050 1/20 0.59
CA9 Q16790 1/20 0.59
HSD17B10 Q99714 1/20 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
SCHEMBL1986357 0.98 HDAC1 (0.96) HDAC1HDAC8HDAC6HDAC2HDAC3
SCHEMBL1981700 0.95 HDAC8 (1.00) HDAC1HDAC8HDAC6HDAC2HDAC3
SCHEMBL5020665 0.91 HDAC1 (1.00) HDAC1HDAC8HDAC6HDAC2HDAC3
SCHEMBL23015514 0.86 HDAC1 (0.75) HDAC1HDAC8HDAC6HDAC2HDAC3
SCHEMBL14820656 0.86 HDAC1 (0.75) HDAC1HDAC8HDAC6HDAC2HDAC3
SCHEMBL9504756 0.84 HDAC1 (0.73) HDAC1HDAC8HDAC6HDAC2HDAC3
SCHEMBL10094807 0.84 HDAC1 (0.73) HDAC1HDAC8HSP90AA1
Acetic Acid SCHEMBL9504741 0.83 HDAC1 (0.71) HDAC1HDAC8
Acetic Acid SCHEMBL9504786 0.83 HDAC1 (0.71) HDAC1HDAC8
SCHEMBL5020702 0.83 HDAC8 (0.73) HDAC1HDAC8HDAC6HDAC2HDAC3

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 26 patents — showing the first 20. 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-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-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
US-RE39850-E1 Aryl amide, -sulfonamide, or -urea derivatives; antiproliferative, antitumor, anticarcinogenic, and/or antimetastasis agents METHYLGENE, INC. (CA) 2007-09-18 US disclosed
US-RE39850-E1 Aryl amide, -sulfonamide, or -urea derivatives; antiproliferative, antitumor, anticarcinogenic, and/or antimetastasis agents METHYLGENE, INC. (CA) 2007-09-18 US disclosed
US-20070197550-A1 Histone deacetylase inhibitors for enhancing activity of antifungal agents 92229129 QUEBEC INC. (CA) 2007-08-23 US disclosed
US-20070197550-A1 Histone deacetylase inhibitors for enhancing activity of antifungal agents 92229129 QUEBEC INC. (CA) 2007-08-23 US 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 (3 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-20070197550-A1 Histone deacetylase inhibitors for enhancing activity of antifungal agents HDAC1, HDAC5, HDAC7 HDAC1 1/4885HDAC8 6/4885HDAC6 10/4885
US-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 HDAC1 1/4885HDAC8 9/4885HDAC6 10/4885
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 HDAC1 1/4885HDAC8 9/4885HDAC6 10/4885

“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.