SCHEMBL552680

SCHEMBL552680

OB(O)c1ccc(CNCC2CCCCC2)s1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.40
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
ESRRA P11474 2/20 0.36
HPGD P15428 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
CA2 P00918 2/20 0.34
POLB P06746 1/20 0.33
EPHX1 P07099 1/20 0.33

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
SCHEMBL552450 0.92 MEN1 (0.39) HDAC6CA2
SCHEMBL13185634 0.78 NPC1 (0.48) HDAC6HDAC3HDAC4HDAC1HDAC8
SCHEMBL552144 0.78 HRH3 (0.41) HDAC1HPGDPOLB
SCHEMBL13167647 0.75 EP300 (0.41) HDAC6HDAC3HDAC4HDAC1HDAC8
SCHEMBL552158 0.74 TSHR (0.39) CA2
SCHEMBL14606631 0.74 ALKBH5 (0.49) HDAC3HDAC1HDAC8ESRRAEPHX1
SCHEMBL17707589 0.71 HDAC6 (0.67) HDAC6HDAC3HDAC4HDAC1HDAC8
SCHEMBL553400 0.70 TSHR (0.36)
SCHEMBL3979245 0.70 HDAC6 (0.57) HDAC6HDAC3HDAC4HDAC1HDAC8
SCHEMBL27872311 0.69 HDAC6 (0.46) HDAC6HDAC3HDAC4HDAC1HDAC8

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 6 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
EP-1896014-A2 CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-03-12 EP disclosed
WO-2007005534-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-01-11 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 (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 873/4885HDAC3 1169/4885HDAC4 2374/4885
US-20090143372-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA HDAC6 873/4885HDAC3 1169/4885HDAC4 2374/4885

“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.