SCHEMBL552799

SCHEMBL552799

Cn1cccc1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
LIPG Q9Y5X9 3/20 0.44
LPL P06858 1/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL171732 0.80 LIPG (0.53) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL12523750 0.80 LIPG (0.53) KEAP1NFE2L2LIPGLPLCA1
SCHEMBL552988 0.79 ALDH1A1 (0.64) NPC1RAB9ALIPGLPLCA1
SCHEMBL3189084 0.77 LIPG (0.54) KEAP1NFE2L2LIPGLPLCA1
SCHEMBL23732881 0.77 LIPG (0.51) KEAP1NFE2L2LIPGLPLCA1
SCHEMBL552898 0.77 CA1 (0.54) NPC1RAB9ALIPGLPLCA1
SCHEMBL15013491 0.75 LIPG (0.49) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL30519748 0.75 LIPG (0.49) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL31259610 0.75 HDAC2 (0.56) HDAC6HDAC2HDAC8RAB9AKEAP1
SCHEMBL13272883 0.75 NPC1 (0.73) HDAC6HDAC1HDAC3HDAC4HDAC7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354406-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-01-15 US disclosed
US-20120035164-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-02-09 US disclosed
US-8063071-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2011-11-22 US disclosed
US-20090143372-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2009-06-04 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 (2 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-20120035164-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA HDAC6 873/4885HDAC1 1690/4885HDAC3 1169/4885
US-20090143372-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA HDAC6 873/4885HDAC1 1690/4885HDAC3 1169/4885

“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.