SCHEMBL3458189

SCHEMBL3458189

O=C(/C=C/c1cccc(C(=O)N[C@H](C(=O)O)c2ccccc2)c1)NO

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.65
HDAC3 O15379 12/20 0.65
HDAC4 P56524 13/20 0.59
HDAC2 Q92769 11/20 0.59
HDAC8 Q9BY41 11/20 0.59
HDAC6 Q9UBN7 11/20 0.59
HDAC7 Q8WUI4 10/20 0.59
HDAC9 Q9UKV0 10/20 0.59
HDAC5 Q9UQL6 10/20 0.59
HDAC10 Q969S8 9/20 0.59
HDAC11 Q96DB2 9/20 0.59
BRD4 O60885 1/20 0.49
ESR1 P03372 1/20 0.49
PTGS1 P23219 1/20 0.49
PDE4A P27815 1/20 0.49
PIK3CA P42336 1/20 0.49
HTR6 P50406 1/20 0.49
PDE4D Q08499 1/20 0.49
ASPH Q12797 1/20 0.49
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL3458190 1.00 HDAC1 (0.65) HDAC1HDAC3HDAC4HDAC2HDAC8
SCHEMBL8317390 0.81 TDP1 (0.61) HDAC1HDAC3HDAC4HDAC2HDAC8
SCHEMBL675746 0.80 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC2HDAC8
SCHEMBL29354058 0.80 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC2HDAC8
SCHEMBL675747 0.80 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC2HDAC8
SCHEMBL29392550 0.80 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC2HDAC8
SCHEMBL1236293 0.79 HDAC3 (0.80) HDAC1HDAC3HDAC4HDAC2HDAC8
SCHEMBL1236290 0.79 HDAC3 (0.80) HDAC1HDAC3HDAC4HDAC2HDAC8
SCHEMBL14254927 0.78 HDAC1 (0.80) HDAC1HDAC3HDAC4HDAC2HDAC8
SCHEMBL30702323 0.78 HDAC1 (0.80) HDAC1HDAC3HDAC4HDAC2HDAC8

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 8 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

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

“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.