SCHEMBL1364077

SCHEMBL1364077

CN(C)c1ccc(CNC(=O)NCCCC(=O)NOCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.61
HDAC2 Q92769 6/20 0.61
HDAC10 Q969S8 6/20 0.61
HDAC8 Q9BY41 6/20 0.61
HDAC6 Q9UBN7 6/20 0.61
HDAC3 O15379 6/20 0.61
HDAC4 P56524 5/20 0.61
HDAC7 Q8WUI4 5/20 0.61
HDAC11 Q96DB2 5/20 0.61
HDAC9 Q9UKV0 5/20 0.61
HDAC5 Q9UQL6 5/20 0.61
CA12 O43570 4/20 0.54
CA1 P00915 4/20 0.54
CA2 P00918 4/20 0.54
CA4 P22748 4/20 0.54
CA5A P35218 4/20 0.54
CA7 P43166 4/20 0.54
CA9 Q16790 4/20 0.54
CA14 Q9ULX7 4/20 0.54
EPHX2 P34913 2/20 0.48

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
SCHEMBL1365408 0.84 HDAC1 (0.58) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL1364916 0.80 HDAC1 (0.92) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL3265600 0.77 HDAC3 (0.58) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL12727094 0.77 HDAC1 (0.81) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL1366029 0.77 HDAC1 (1.00) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL16573398 0.76 HDAC1 (0.76) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL1363636 0.76 HDAC1 (1.00) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL1364463 0.76 HDAC1 (1.00) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL12727095 0.76 HDAC1 (0.81) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL8295721 0.76 HDAC1 (1.00) HDAC1HDAC2HDAC10HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644323-B1 HISTONE DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF UNIV GEORGETOWN (US) 2015-03-18 EP disclosed
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-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-20090163543-A1 Histone Deacetylase Inhibitors and Methods of Use Thereof GEORGETOWN UNIVERSITY (US) 2009-06-25 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-1644323-A2 HISTONE DEACETYLASE INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2006-04-12 EP 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
US-20050014839-A1 Histone deacetylase inhibitors and methods of use thereof GEORGETOWN UNIVERSITY 2005-01-20 US 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 (5 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 3/4885HDAC2 8/4885HDAC10 11/4885
US-20090163543-A1 Histone Deacetylase Inhibitors and Methods of Use Thereof HDAC5, HDAC6, HDAC1 HDAC1 3/4885HDAC2 5/4885HDAC10 11/4885
US-20050032831-A1 Histone deacetylase inhibitors and methods of use thereof HDAC5, HDAC6, HDAC1 HDAC1 3/4885HDAC2 5/4885HDAC10 11/4885
US-20110098504-A1 Histone Deacetylase Inhibitors and Methods of Use Thereof HDAC5, HDAC6, HDAC1 HDAC1 3/4885HDAC2 8/4885HDAC10 11/4885
US-20050014839-A1 Histone deacetylase inhibitors and methods of use thereof HDAC5, HDAC6, HDAC1 HDAC1 3/4885HDAC2 8/4885HDAC10 11/4885

“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.