SCHEMBL1410882

SCHEMBL1410882

O=C(C=Cc1cccc(CNCC2CCC(CN[C@H](C(=O)O)C3CCCCC3)CC2)c1)NO

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 16/20 0.57
HDAC1 Q13547 7/20 0.57
HDAC3 O15379 6/20 0.57
HDAC8 Q9BY41 6/20 0.57
HDAC6 Q9UBN7 5/20 0.57
HDAC5 Q9UQL6 4/20 0.57
HDAC2 Q92769 4/20 0.51
MEF2D Q14814 12/20 0.49
ALDH1A1 P00352 1/20 0.47
HDAC7 Q8WUI4 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45

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
SCHEMBL1410877 1.00 HDAC4 (0.57) HDAC4HDAC1HDAC3HDAC8HDAC6
SCHEMBL3457384 0.89 HDAC4 (0.56) HDAC4HDAC1HDAC3HDAC8HDAC6
SCHEMBL3457389 0.89 HDAC4 (0.56) HDAC4HDAC1HDAC3HDAC8HDAC6
SCHEMBL3457834 0.89 HDAC1 (0.54) HDAC4HDAC1HDAC3HDAC8HDAC6
SCHEMBL3457841 0.89 HDAC1 (0.54) HDAC4HDAC1HDAC3HDAC8HDAC6
SCHEMBL19217011 0.89 HDAC4 (0.54) HDAC4HDAC1HDAC3HDAC8HDAC6
SCHEMBL8198587 0.89 HDAC4 (0.54) HDAC4HDAC1HDAC3HDAC8HDAC6
SCHEMBL3457968 0.84 HDAC4 (0.39) HDAC4HDAC1HDAC3HDAC8HDAC6
SCHEMBL15135801 0.84 HDAC4 (0.39) HDAC4HDAC1HDAC3HDAC8HDAC6
SCHEMBL3457972 0.84 HDAC4 (0.39) HDAC4HDAC1HDAC3HDAC8HDAC6

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 9 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
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

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 6/4885HDAC1 1/4885HDAC3 2/4885
US-20100010010-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 HDAC4 6/4885HDAC1 1/4885HDAC3 2/4885
US-20160137594-A1 HDAC INHIBITORS HDAC1, HDAC11, HDAC2 HDAC4 4/4885HDAC1 1/4885HDAC3 5/4885
US-20130197042-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 HDAC4 6/4885HDAC1 1/4885HDAC3 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.