SCHEMBL4580449

SCHEMBL4580449

O=C(Cc1ccc(CCCc2ccccc2)cc1)NO

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 8/20 0.78
HDAC6 Q9UBN7 4/20 0.78
MEN1 O00255 1/20 0.78
KMT2A Q03164 1/20 0.78
HDAC1 Q13547 10/20 0.74
HDAC2 Q92769 5/20 0.68
HDAC3 O15379 2/20 0.68
HDAC5 Q9UQL6 2/20 0.68
GAA P10253 1/20 0.64
HPGD P15428 1/20 0.64
ALOX5 P09917 1/20 0.64
HDAC4 P56524 1/20 0.62
HDAC7 Q8WUI4 1/20 0.62
HDAC10 Q969S8 1/20 0.62
HDAC11 Q96DB2 1/20 0.62
HDAC9 Q9UKV0 1/20 0.62
TRPV1 Q8NER1 1/20 0.60

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
SCHEMBL4581295 0.96 HDAC8 (0.78) HDAC8HDAC6MEN1KMT2AHDAC1
SCHEMBL4579041 0.95 HDAC8 (0.75) HDAC8HDAC6MEN1KMT2AHDAC1
SCHEMBL15522678 0.88 HDAC1 (0.74) HDAC8HDAC6MEN1KMT2AHDAC1
Phenylacetohydroxamic Acid SCHEMBL213873 0.88 HDAC8 (1.00) HDAC8HDAC6MEN1KMT2AHDAC1
SCHEMBL15522840 0.88 HDAC2 (0.77) HDAC8HDAC6MEN1KMT2AHDAC1
Phenylacetohydroxamic Acid SCHEMBL8893714 0.86 HDAC8 (0.95) HDAC8HDAC6MEN1KMT2AHDAC1
SCHEMBL12688086 0.86 HDAC6 (0.68) HDAC8HDAC6MEN1KMT2AHDAC1
SCHEMBL1980549 0.85 HDAC1 (1.00) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL5020669 0.85 HDAC1 (0.93) HDAC8HDAC6HDAC1HDAC2HDAC3
SCHEMBL15522697 0.85 HDAC8 (0.60) HDAC8HDAC6MEN1KMT2AHDAC1

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 28 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 HDAC8 6/4885HDAC6 10/4885MEN1 2474/4885
US-20080146623-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 HDAC8 9/4885HDAC6 10/4885MEN1 1848/4885
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 HDAC8 9/4885HDAC6 10/4885MEN1 1848/4885

“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.