SCHEMBL1780166

SCHEMBL1780166

COC(=O)C=Cc1ccc(C2CCCCCN2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
TYR P14679 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
PTPN1 P18031 1/20 0.44
TTR P02766 1/20 0.43
APP P05067 1/20 0.43
RAB9A P51151 1/20 0.42
NR1H4 Q96RI1 9/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ESR1 P03372 1/20 0.40
EPHX2 P34913 1/20 0.40
JAK2 O60674 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 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
SCHEMBL1780168 1.00 CA12 (0.49) CA12CA1CA2TYRCA7
SCHEMBL1780164 1.00 CA12 (0.49) CA12CA1CA2TYRCA7
SCHEMBL1780162 1.00 CA12 (0.49) CA12CA1CA2TYRCA7
SCHEMBL1779672 0.99 CA12 (0.50) CA12CA1CA2TYRCA7
SCHEMBL1779670 0.99 CA12 (0.50) CA12CA1CA2TYRCA7
SCHEMBL1779673 0.99 CA12 (0.50) CA12CA1CA2TYRCA7
SCHEMBL1779674 0.99 CA12 (0.50) CA12CA1CA2TYRCA7
SCHEMBL1777992 0.95 CA12 (0.51) CA12CA1CA2TYRCA7
SCHEMBL1779465 0.95 CA12 (0.51) CA12CA1CA2TYRCA7
SCHEMBL1779636 0.95 CA12 (0.51) CA12CA1CA2TYRCA7

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-2260020-B1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG (CH) 2014-07-23 EP disclosed
EP-2628726-A1 Hydroxamate-based inhibitors of deacetylases b Novartis AG (CH) 2013-08-21 EP disclosed
US-8349883-B2 Hydroxamate-based inhibitors of deacetylases B NOVARTIS AG (CH) 2013-01-08 US disclosed
US-20110183964-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG (CH) 2011-07-28 US disclosed
US-7943652-B2 Hydroxamate-based inhibitors of deacetylases B NOVARTIS AG (CH) 2011-05-17 US disclosed
EP-2260020-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B Novartis AG (CH) 2010-12-15 EP disclosed
US-20090247547-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG 2009-10-01 US disclosed
WO-2009118305-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG (CH) 2009-10-01 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-20090247547-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B HDAC1, HDAC11, HDAC3 CA12 277/4885CA1 38/4885CA2 233/4885
US-20110183964-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B HDAC1, HDAC11, HDAC3 CA12 277/4885CA1 38/4885CA2 233/4885

“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.