SCHEMBL3457484

SCHEMBL3457484

CC(C)COC(C)ONC(=O)/C=C/c1cccc(CNCc2ccc(CN[C@H](C(=O)O)C3CCCCC3)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 10/20 0.40
MEF2D Q14814 8/20 0.40
EP300 Q09472 2/20 0.40
ITGB3 P05106 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGAV P06756 1/20 0.40
ITGA5 P08648 1/20 0.40
HDAC3 O15379 6/20 0.38
HDAC1 Q13547 6/20 0.38
HDAC8 Q9BY41 6/20 0.38
HDAC2 Q92769 4/20 0.38
HDAC6 Q9UBN7 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
KDM1A O60341 1/20 0.35
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL3457495 1.00 HDAC4 (0.40) HDAC4MEF2DEP300ITGB3ITGB1
SCHEMBL3457267 0.96 HDAC4 (0.40) HDAC4MEF2DEP300ITGB3ITGB1
SCHEMBL3457262 0.96 HDAC4 (0.40) HDAC4MEF2DEP300ITGB3ITGB1
SCHEMBL12810239 0.91 HDAC4 (0.41) HDAC4MEF2DEP300ITGB3ITGB1
SCHEMBL3457972 0.91 HDAC4 (0.39) HDAC4MEF2DEP300HDAC3HDAC1
SCHEMBL3457968 0.91 HDAC4 (0.39) HDAC4MEF2DEP300HDAC3HDAC1
SCHEMBL15135801 0.91 HDAC4 (0.39) HDAC4MEF2DEP300HDAC3HDAC1
SCHEMBL1410894 0.89 ITGB3 (0.46) HDAC4ITGB3ITGB1ITGAVITGA5
SCHEMBL1410887 0.89 ITGB3 (0.46) HDAC4ITGB3ITGB1ITGAVITGA5
SCHEMBL8190620 0.87 HDAC4 (0.43) HDAC4MEF2DEP300ITGB3ITGB1

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 10 patents. 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
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-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-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-20100010010-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2010-01-14 US disclosed
EP-2069291-A1 HDAC INHIBITORS Chroma Therapeutics Limited (GB) 2009-06-17 EP 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 525/4885EP300 28/4885
US-20100010010-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 HDAC4 6/4885MEF2D 527/4885EP300 28/4885
US-20160137594-A1 HDAC INHIBITORS HDAC1, HDAC11, HDAC2 HDAC4 4/4885MEF2D 226/4885EP300 17/4885
US-20130197042-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 HDAC4 6/4885MEF2D 525/4885EP300 28/4885

“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.