SCHEMBL3457841

SCHEMBL3457841

O=C(C=Cc1cccc(CNCc2ccc(CN[C@H](C(=O)O)C3CCCCC3)cc2)c1)NO

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.54
HDAC3 O15379 6/20 0.54
HDAC8 Q9BY41 6/20 0.54
HDAC2 Q92769 5/20 0.54
HDAC4 P56524 17/20 0.53
HDAC6 Q9UBN7 4/20 0.53
HDAC5 Q9UQL6 4/20 0.53
MEF2D Q14814 13/20 0.51
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
SCHEMBL3457834 1.00 HDAC1 (0.54) HDAC1HDAC3HDAC8HDAC2HDAC4
SCHEMBL3457384 0.95 HDAC4 (0.56) HDAC1HDAC3HDAC8HDAC4HDAC6
SCHEMBL3457389 0.95 HDAC4 (0.56) HDAC1HDAC3HDAC8HDAC4HDAC6
SCHEMBL1410877 0.89 HDAC4 (0.57) HDAC1HDAC3HDAC8HDAC2HDAC4
SCHEMBL1410882 0.89 HDAC4 (0.57) HDAC1HDAC3HDAC8HDAC2HDAC4
SCHEMBL19217052 0.88 HDAC4 (0.55) HDAC1HDAC3HDAC8HDAC2HDAC4
SCHEMBL8191928 0.88 HDAC4 (0.55) HDAC1HDAC3HDAC8HDAC2HDAC4
SCHEMBL1410469 0.88 HDAC3 (0.61) HDAC1HDAC3HDAC8HDAC2HDAC4
SCHEMBL1410465 0.88 HDAC3 (0.61) HDAC1HDAC3HDAC8HDAC2HDAC4
SCHEMBL19217098 0.88 HDAC3 (0.61) HDAC1HDAC3HDAC8HDAC2HDAC4

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 HDAC1 1/4885HDAC3 2/4885HDAC8 7/4885
US-20100010010-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 HDAC1 1/4885HDAC3 2/4885HDAC8 7/4885
US-20160137594-A1 HDAC INHIBITORS HDAC1, HDAC11, HDAC2 HDAC1 1/4885HDAC3 5/4885HDAC8 8/4885
US-20130197042-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 HDAC1 1/4885HDAC3 2/4885HDAC8 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.