SCHEMBL30653

SCHEMBL30653

COC(=O)/C=C/c1ccc(CN2CCC[C@@H]2Cn2cccn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC8 Q9BY41 2/20 0.45
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 4/20 0.39
NR1H4 Q96RI1 5/20 0.39
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TYR P14679 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL2734155 0.88 HDAC1 (0.52) HDAC6HDAC1HDAC8KCNH2
SCHEMBL2734150 0.88 HDAC1 (0.52) HDAC6HDAC1HDAC8KCNH2
SCHEMBL29173 0.88 HDAC1 (0.52) HDAC6HDAC1HDAC8KCNH2
SCHEMBL2733153 0.82 HDAC8 (0.53) HDAC6HDAC1HDAC8KCNH2CA12
SCHEMBL2733156 0.82 HDAC8 (0.53) HDAC6HDAC1HDAC8KCNH2CA12
SCHEMBL19994 0.82 HDAC8 (0.53) HDAC6HDAC1HDAC8KCNH2CA12
SCHEMBL30660 0.81 HDAC8 (0.52) HDAC6HDAC1HDAC8KCNH2HRH3
SCHEMBL30667 0.79 HDAC1 (0.44) HDAC6HDAC1HDAC8KCNH2NR1H4
SCHEMBL3432769 0.79 HDAC1 (0.51) HDAC1KCNH2NR1H4HTTGAA
SCHEMBL1780105 0.79 HDAC1 (0.51) HDAC1KCNH2NR1H4HTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2013-09-05 US disclosed
US-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2013-09-05 US disclosed
WO-2012025164-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2012-03-01 WO disclosed
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-10 US disclosed
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-10 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-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES HDAC1, HDAC11, HDAC3 HDAC6 11/4885HDAC1 1/4885HDAC8 8/4885
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 HDAC6 10/4885HDAC1 1/4885HDAC8 8/4885

“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.