SCHEMBL1364346

SCHEMBL1364346

O=C(CS)NCCCCCCNC(=O)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.76
HDAC6 Q9UBN7 14/20 0.76
HDAC8 Q9BY41 13/20 0.76
HDAC10 Q969S8 12/20 0.76
HDAC2 Q92769 11/20 0.76
HDAC3 O15379 8/20 0.76
HDAC4 P56524 8/20 0.76
HDAC7 Q8WUI4 8/20 0.76
HDAC11 Q96DB2 8/20 0.76
HDAC9 Q9UKV0 8/20 0.76
HDAC5 Q9UQL6 8/20 0.76
NAAA Q02083 1/20 0.66
ALDH1A1 P00352 1/20 0.61
HTT P42858 1/20 0.61
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
MAPK1 P28482 1/20 0.56

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
SCHEMBL1364426 1.00 HDAC1 (0.76) HDAC1HDAC6HDAC8HDAC10HDAC2
SCHEMBL1365042 0.91 HDAC1 (0.68) HDAC1HDAC6HDAC8HDAC10HDAC2
SCHEMBL1364875 0.89 HDAC1 (0.66) HDAC1HDAC6HDAC8HDAC10HDAC2
SCHEMBL9489804 0.88 HDAC1 (0.82) HDAC1HDAC6HDAC8HDAC10HDAC2
SCHEMBL9188890 0.88 HDAC1 (0.82) HDAC1HDAC6HDAC8HDAC10HDAC2
SCHEMBL9452844 0.88 HDAC1 (0.82) HDAC1HDAC6HDAC8HDAC10HDAC2
SCHEMBL9492235 0.88 HDAC1 (0.82) HDAC1HDAC6HDAC8HDAC10HDAC2
SCHEMBL7460068 0.88 HDAC1 (0.82) HDAC1HDAC6HDAC8HDAC10HDAC2
SCHEMBL20734829 0.88 HDAC1 (0.82) HDAC1HDAC6HDAC8HDAC10HDAC2
SCHEMBL9489756 0.88 HDAC1 (0.82) HDAC1HDAC6HDAC8HDAC10HDAC2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2258677-B1 HISTONE DEACETYLASE INHIBITORS UNIV GEORGETOWN (US) 2014-06-18 EP disclosed
US-8748463-B2 Histone deacetylase inhibitors and methods of use thereof GEORGETOWN UNIVERSITY (US) 2014-06-10 US disclosed
US-20130065963-A1 Histone Deacetylase Inhibitors and Methods of Use Thereof GEORGETOWN UNIVERSITY (US) 2013-03-14 US disclosed
US-8222451-B2 Histone deacetylase inhibitors and methods of use thereof GEORGETOWN UNIVERSITY (US) 2012-07-17 US disclosed
US-8067600-B2 Histone deacetylase inhibitors and methods of use thereof GEORGETOWN UNIVERSITY (US) 2011-11-29 US disclosed
US-8067600-B2 Histone deacetylase inhibitors and methods of use thereof GEORGETOWN UNIVERSITY (US) 2011-11-29 US disclosed
US-8067600-B2 Histone deacetylase inhibitors and methods of use thereof GEORGETOWN UNIVERSITY (US) 2011-11-29 US disclosed
US-20110098504-A1 Histone Deacetylase Inhibitors and Methods of Use Thereof GEORGETOWN UNIVERSITY (US) 2011-04-28 US disclosed
EP-2258677-A2 Histone deacetylase inhibitors and methods of use thereof GEORGETOWN UNIVERSITY (US) 2010-12-08 EP disclosed
US-7842835-B2 Histone deacetylase inhibitors and methods of use thereof GEORGETOWN UNIVERSITY (US) 2010-11-30 US disclosed
US-7507828-B2 Histone deacetylase inhibitors and methods of use thereof GEORGETOWN UNIVERSITY (US) 2009-03-24 US disclosed
EP-1644323-A4 HISTONE DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF UNIV GEORGETOWN (US) 2007-06-20 EP disclosed
EP-1794117-A2 MERCAPTOAMIDES AS HISTONE DEACETYLASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2007-06-13 EP disclosed
EP-1644323-A2 HISTONE DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2006-04-12 EP disclosed
WO-2006028972-A2 MERCAPTOAMIDES AS HISTONE DEACETYLASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2006-03-16 WO disclosed
WO-2006028972-A2 MERCAPTOAMIDES AS HISTONE DEACETYLASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2006-03-16 WO disclosed
US-20060047123-A1 Mercaptoamides as histone deacetylase inhibitors AHMED SALEH 2006-03-02 US disclosed
US-20050032831-A1 Histone deacetylase inhibitors and methods of use thereof GEORGETOWN UNIVERSITY 2005-02-10 US disclosed
WO-2005007091-A2 HISTONE DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2005-01-27 WO disclosed
WO-2005007091-A2 HISTONE DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2005-01-27 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 (4 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-20130065963-A1 Histone Deacetylase Inhibitors and Methods of Use Thereof HDAC5, HDAC6, HDAC1 HDAC1 3/4885HDAC6 2/4885HDAC8 9/4885
US-20050032831-A1 Histone deacetylase inhibitors and methods of use thereof HDAC5, HDAC6, HDAC1 HDAC1 3/4885HDAC6 2/4885HDAC8 9/4885
US-20110098504-A1 Histone Deacetylase Inhibitors and Methods of Use Thereof HDAC5, HDAC6, HDAC1 HDAC1 3/4885HDAC6 2/4885HDAC8 9/4885
US-20060047123-A1 Mercaptoamides as histone deacetylase inhibitors HDAC1, HDAC11, HDAC2 HDAC1 1/4885HDAC6 4/4885HDAC8 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.