SCHEMBL5020668

SCHEMBL5020668

O=C(CCc1ccc(CCCCc2ccccc2)cc1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 1.00
HDAC2 Q92769 10/20 0.85
HDAC8 Q9BY41 8/20 0.85
HDAC6 Q9UBN7 7/20 0.85
ALOX5 P09917 1/20 0.80
HDAC3 O15379 6/20 0.79
HDAC5 Q9UQL6 4/20 0.79
HDAC10 Q969S8 5/20 0.74
HDAC11 Q96DB2 5/20 0.74
HDAC4 P56524 5/20 0.74
HDAC9 Q9UKV0 4/20 0.74
HDAC7 Q8WUI4 3/20 0.74
NCOR2 Q9Y618 2/20 0.63

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
SCHEMBL1980549 0.96 HDAC1 (1.00) HDAC1HDAC2HDAC8HDAC6ALOX5
SCHEMBL5020670 0.93 HDAC1 (1.00) HDAC1HDAC2HDAC8HDAC6ALOX5
SCHEMBL5020672 0.92 HDAC1 (1.00) HDAC1HDAC2HDAC8HDAC6ALOX5
SCHEMBL1847911 0.92 HDAC2 (1.00) HDAC1HDAC2HDAC8HDAC6ALOX5
Benzene SCHEMBL28125146 0.92 HDAC2 (1.00) HDAC1HDAC2HDAC8HDAC6ALOX5
SCHEMBL5020559 0.91 HDAC1 (0.96) HDAC1HDAC2HDAC8HDAC6ALOX5
SCHEMBL5020669 0.89 HDAC1 (0.93) HDAC1HDAC2HDAC8HDAC6ALOX5
SCHEMBL8610138 0.89 HDAC1 (1.00) HDAC1HDAC2HDAC8HDAC6ALOX5
SCHEMBL22190384 0.89 HDAC1 (1.00) HDAC1HDAC2HDAC8HDAC6ALOX5
SCHEMBL5807174 0.89 HDAC1 (1.00) HDAC1HDAC2HDAC8HDAC6ALOX5

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 13 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-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
US-RE43343-E1 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-05-01 US disclosed
US-RE43343-E1 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-05-01 US 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-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
EP-1748046-A2 Inhibitors of histone deacetylase Methylgene, Inc. (CA) 2007-01-31 EP 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 1/4885HDAC2 5/4885HDAC8 9/4885
US-20140024608-A1 INHIBITORS OF HISTONE DEACETYLASE AND PRODRUGS THEREOF HDAC1, HDAC3, HDAC11 HDAC1 1/4885HDAC2 5/4885HDAC8 9/4885

“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.