SCHEMBL30199

SCHEMBL30199

O=C(C=Cc1ccc(CN2CCC[C@@H]2Cc2c[nH]c3ccccc23)cc1)NO

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.66
KCNH2 Q12809 8/20 0.66
HDAC3 O15379 13/20 0.61
HDAC4 P56524 13/20 0.61
HDAC7 Q8WUI4 13/20 0.61
HDAC2 Q92769 13/20 0.61
HDAC10 Q969S8 13/20 0.61
HDAC11 Q96DB2 13/20 0.61
HDAC8 Q9BY41 13/20 0.61
HDAC6 Q9UBN7 13/20 0.61
HDAC9 Q9UKV0 13/20 0.61
HDAC5 Q9UQL6 13/20 0.61
CYP3A4 P08684 1/20 0.51

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
SCHEMBL29695 1.00 HDAC1 (0.66) HDAC1KCNH2HDAC3HDAC4HDAC7
SCHEMBL2734140 1.00 HDAC1 (0.66) HDAC1KCNH2HDAC3HDAC4HDAC7
SCHEMBL28328 1.00 HDAC1 (0.66) HDAC1KCNH2HDAC3HDAC4HDAC7
SCHEMBL28329 1.00 HDAC1 (0.66) HDAC1KCNH2HDAC3HDAC4HDAC7
SCHEMBL28330 1.00 HDAC1 (0.66) HDAC1KCNH2HDAC3HDAC4HDAC7
SCHEMBL29629 0.89 HDAC1 (0.55) HDAC1KCNH2HDAC3HDAC4HDAC7
SCHEMBL29097 0.89 HDAC1 (0.55) HDAC1KCNH2HDAC3HDAC4HDAC7
SCHEMBL29098 0.89 HDAC1 (0.55) HDAC1KCNH2HDAC3HDAC4HDAC7
SCHEMBL29099 0.89 HDAC1 (0.55) HDAC1KCNH2HDAC3HDAC4HDAC7
SCHEMBL29630 0.89 HDAC1 (0.55) HDAC1KCNH2HDAC3HDAC4HDAC7

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-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2013-09-05 US claimed
EP-2609078-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES Novartis AG (CH) 2013-07-03 EP claimed
WO-2012025164-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2012-03-01 WO claimed
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-10 US claimed
US-20130231373-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2013-09-05 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 HDAC1 1/4885KCNH2 2891/4885HDAC3 3/4885
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 HDAC1 1/4885KCNH2 3187/4885HDAC3 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.