SCHEMBL1779804

SCHEMBL1779804

O=C(C=Cc1ccc(C2CCCN2CC2CC2)cc1)NO

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.56
KCNH2 Q12809 2/20 0.56
HDAC3 O15379 6/20 0.47
HDAC8 Q9BY41 6/20 0.47
HDAC6 Q9UBN7 6/20 0.47
HDAC4 P56524 5/20 0.47
HDAC5 Q9UQL6 5/20 0.47
HDAC2 Q92769 5/20 0.43
HDAC7 Q8WUI4 4/20 0.43
HDAC10 Q969S8 4/20 0.43
HDAC11 Q96DB2 4/20 0.43
HDAC9 Q9UKV0 4/20 0.43
KDM1A O60341 2/20 0.43

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
SCHEMBL1779801 1.00 HDAC1 (0.56) HDAC1KCNH2HDAC3HDAC8HDAC6
SCHEMBL3414024 1.00 HDAC1 (0.56) HDAC1KCNH2HDAC3HDAC8HDAC6
SCHEMBL1779805 1.00 HDAC1 (0.56) HDAC1KCNH2HDAC3HDAC8HDAC6
SCHEMBL1780262 0.96 HDAC1 (0.55) HDAC1KCNH2HDAC3HDAC8HDAC6
SCHEMBL1780046 0.96 HDAC1 (0.55) HDAC1KCNH2HDAC3HDAC8HDAC6
SCHEMBL3413811 0.96 HDAC1 (0.55) HDAC1KCNH2HDAC3HDAC8HDAC6
SCHEMBL1780261 0.96 HDAC1 (0.55) HDAC1KCNH2HDAC3HDAC8HDAC6
SCHEMBL1780043 0.96 HDAC1 (0.55) HDAC1KCNH2HDAC3HDAC8HDAC6
SCHEMBL1780045 0.96 HDAC1 (0.55) HDAC1KCNH2HDAC3HDAC8HDAC6
SCHEMBL1780368 0.86 HDAC1 (0.45) HDAC1KCNH2HDAC8HDAC6KDM1A

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 12 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 claimed
EP-2628726-A1 Hydroxamate-based inhibitors of deacetylases b Novartis AG (CH) 2013-08-21 EP claimed
US-8349883-B2 Hydroxamate-based inhibitors of deacetylases B NOVARTIS AG (CH) 2013-01-08 US claimed
US-20110183964-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG (CH) 2011-07-28 US claimed
US-7943652-B2 Hydroxamate-based inhibitors of deacetylases B NOVARTIS AG (CH) 2011-05-17 US claimed
US-20090247547-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG 2009-10-01 US claimed
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
US-20090247547-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG 2009-10-01 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-20090247547-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B HDAC1, HDAC11, HDAC3 HDAC1 1/4885KCNH2 2802/4885HDAC3 3/4885
US-20110183964-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B HDAC1, HDAC11, HDAC3 HDAC1 1/4885KCNH2 2802/4885HDAC3 3/4885

“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.