SCHEMBL2189778

SCHEMBL2189778

CC(C)NC(=O)c1cccc(NCc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.58
HDAC6 Q9UBN7 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
FFAR1 O14842 2/20 0.53
PPARA Q07869 2/20 0.51
HIF1A Q16665 1/20 0.50
PTGES O14684 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
ROCK2 O75116 3/20 0.49
GRK2 P25098 2/20 0.49
PRKCA P17252 1/20 0.49
ROCK1 Q13464 1/20 0.49

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
SCHEMBL2186903 0.88 PPARA (0.59) HDAC8HDAC11PPARA
SCHEMBL11936085 0.83 NAMPT (0.46) HDAC8HDAC11FFAR1PPARAROCK2
SCHEMBL10294809 0.82 NPSR1 (0.54) ROCK2
SCHEMBL11935296 0.81 NAMPT (0.44) HDAC8HDAC11FFAR1PPARAROCK2
SCHEMBL2185809 0.81 FFAR1 (0.70) HDAC8HDAC6FFAR1PPARAHIF1A
SCHEMBL27845742 0.78 HDAC8 (0.58) HDAC8HDAC6HDAC11FFAR1PPARA
SCHEMBL13702145 0.78 HDAC1 (0.66) HDAC8HDAC6PTGESROCK2
SCHEMBL10106419 0.78 MAPT (0.65) HDAC8HDAC11HIF1A
SCHEMBL2188031 0.77 HIF1A (0.50) HDAC8HDAC6FFAR1PPARAHIF1A
SCHEMBL2188257 0.77 HIF1A (0.50) HDAC8HDAC6FFAR1PPARAHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342177-B1 NOVEL POTASSIUM CHANNEL BLOCKERS JAPAN TOBACCO INC (JP) 2017-02-15 EP disclosed
US-9447033-B2 Potassium channel blockers JAPAN TOBACCO INC. (JP) 2016-09-20 US disclosed
US-20150259282-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2015-09-17 US disclosed
US-8673901-B2 Potassium channel blockers XENTION LIMITED (GB) 2014-03-18 US disclosed
EP-2342177-A1 NOVEL POTASSIUM CHANNEL BLOCKERS Xention Limited (GB) 2011-07-13 EP disclosed
US-20100087428-A1 Novel Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 US disclosed
WO-2010023448-A1 NOVEL POTASSIUM CHANNEL BLOCKERS XENTION LIMITED (GB) 2010-03-04 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-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 HDAC8 770/4885HDAC6 1036/4885HDAC11 733/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 HDAC8 1704/4885HDAC6 1117/4885HDAC11 844/4885

“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.