SCHEMBL1411044

SCHEMBL1411044

O=C(/C=C/c1ccc(CN[C@H](CO)C(=O)OC2CCCC2)cc1)NO

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 14/20 0.54
HDAC1 Q13547 13/20 0.54
HDAC8 Q9BY41 13/20 0.54
HDAC6 Q9UBN7 8/20 0.54
HDAC4 P56524 7/20 0.54
HDAC5 Q9UQL6 6/20 0.54
KDM1A O60341 2/20 0.46
HDAC2 Q92769 13/20 0.46
HDAC7 Q8WUI4 4/20 0.46
HDAC10 Q969S8 4/20 0.46
HDAC11 Q96DB2 4/20 0.46
HDAC9 Q9UKV0 4/20 0.46
MEF2D Q14814 2/20 0.46
MAOA P21397 1/20 0.43

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
SCHEMBL12810012 1.00 HDAC3 (0.54) HDAC3HDAC1HDAC8HDAC6HDAC4
SCHEMBL1411049 1.00 HDAC3 (0.54) HDAC3HDAC1HDAC8HDAC6HDAC4
SCHEMBL1410705 0.89 HDAC3 (0.51) HDAC3HDAC1HDAC8HDAC6HDAC4
SCHEMBL1410708 0.89 HDAC3 (0.51) HDAC3HDAC1HDAC8HDAC6HDAC4
SCHEMBL3458126 0.89 HDAC3 (0.51) HDAC3HDAC1HDAC8HDAC6HDAC4
SCHEMBL3458129 0.89 HDAC3 (0.51) HDAC3HDAC1HDAC8HDAC6HDAC4
SCHEMBL1411557 0.86 HDAC3 (0.48) HDAC3HDAC1HDAC8HDAC6HDAC4
SCHEMBL1410714 0.86 HDAC3 (0.48) HDAC3HDAC1HDAC8HDAC6HDAC4
SCHEMBL1411564 0.86 HDAC3 (0.48) HDAC3HDAC1HDAC8HDAC6HDAC4
SCHEMBL1410711 0.86 HDAC3 (0.48) HDAC3HDAC1HDAC8HDAC6HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069291-B1 HDAC INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2017-12-20 EP disclosed
EP-2069291-B1 HDAC INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2017-12-20 EP disclosed
US-9725407-B2 HDAC inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-08-08 US disclosed
US-9725407-B2 HDAC inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-08-08 US disclosed
US-20160137594-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2016-05-19 US disclosed
US-20160137594-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2016-05-19 US disclosed
US-9273003-B2 Methods of treating lymphoma and rheumatoid arthritis with cyclopentyl (2S)-cyclohexyl[({6-[3-(hydroxyamino)-3-oxopropyl]pyridin-3-yl}methyl)amino]acetate GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-03-01 US disclosed
US-9273003-B2 Methods of treating lymphoma and rheumatoid arthritis with cyclopentyl (2S)-cyclohexyl[({6-[3-(hydroxyamino)-3-oxopropyl]pyridin-3-yl}methyl)amino]acetate GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-03-01 US disclosed
US-20140323531-A1 HDAC INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2014-10-30 US disclosed
US-20140323531-A1 HDAC INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2014-10-30 US disclosed
US-8637547-B2 Compounds which inhibit members of the histone deacetylase family of enzymes and their use in the treatment of cell proliferative diseases CHROMA THERAPEUTICS LTD. (GB) 2014-01-28 US disclosed
US-8637547-B2 Compounds which inhibit members of the histone deacetylase family of enzymes and their use in the treatment of cell proliferative diseases CHROMA THERAPEUTICS LTD. (GB) 2014-01-28 US disclosed
US-20130197042-A1 HDAC INHIBITORS CHROMA THERAPEUTCS, LTD 2013-08-01 US disclosed
US-20130197042-A1 HDAC INHIBITORS CHROMA THERAPEUTCS, LTD 2013-08-01 US disclosed
EP-2295410-A1 HDAC inhibitor Chroma Therapeutics Limited (GB) 2011-03-16 EP disclosed
EP-2295410-A1 HDAC inhibitor Chroma Therapeutics Limited (GB) 2011-03-16 EP disclosed
US-20100010010-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2010-01-14 US disclosed
US-20100010010-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2010-01-14 US disclosed
US-20100010010-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2010-01-14 US disclosed
WO-2008040934-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2008-04-10 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-20140323531-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 HDAC3 2/4885HDAC1 1/4885HDAC8 7/4885
US-20100010010-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 HDAC3 2/4885HDAC1 1/4885HDAC8 7/4885
US-20160137594-A1 HDAC INHIBITORS HDAC1, HDAC11, HDAC2 HDAC3 5/4885HDAC1 1/4885HDAC8 8/4885
US-20130197042-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 HDAC3 2/4885HDAC1 1/4885HDAC8 7/4885

“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.