SCHEMBL1410971

SCHEMBL1410971

CC(C)(C)OC[C@H](NCc1ccc(CNCc2cccc(/C=C/C(=O)NO)c2)cc1)C(=O)OC1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 14/20 0.51
MEF2D Q14814 12/20 0.51
HDAC3 O15379 8/20 0.47
HDAC1 Q13547 8/20 0.47
HDAC8 Q9BY41 8/20 0.47
HDAC2 Q92769 6/20 0.47
HDAC6 Q9UBN7 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
EP300 Q09472 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
SCHEMBL1410977 1.00 HDAC4 (0.51) HDAC4MEF2DHDAC3HDAC1HDAC8
SCHEMBL19723095 0.93 HDAC1 (0.51) HDAC4MEF2DHDAC3HDAC1HDAC8
SCHEMBL1411193 0.93 HDAC1 (0.51) HDAC4MEF2DHDAC3HDAC1HDAC8
SCHEMBL1411190 0.93 HDAC1 (0.51) HDAC4MEF2DHDAC3HDAC1HDAC8
SCHEMBL1411557 0.90 HDAC3 (0.48) HDAC4MEF2DHDAC3HDAC1HDAC8
SCHEMBL1411564 0.90 HDAC3 (0.48) HDAC4MEF2DHDAC3HDAC1HDAC8
SCHEMBL1410711 0.90 HDAC3 (0.48) HDAC4MEF2DHDAC3HDAC1HDAC8
SCHEMBL1410714 0.90 HDAC3 (0.48) HDAC4MEF2DHDAC3HDAC1HDAC8
SCHEMBL19217052 0.82 HDAC4 (0.55) HDAC4MEF2DHDAC3HDAC1HDAC8
SCHEMBL8191928 0.82 HDAC4 (0.55) HDAC4MEF2DHDAC3HDAC1HDAC8

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 HDAC4 6/4885MEF2D 525/4885HDAC3 2/4885
US-20100010010-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 HDAC4 6/4885MEF2D 527/4885HDAC3 2/4885
US-20160137594-A1 HDAC INHIBITORS HDAC1, HDAC11, HDAC2 HDAC4 4/4885MEF2D 226/4885HDAC3 5/4885
US-20130197042-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 HDAC4 6/4885MEF2D 525/4885HDAC3 2/4885

“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.