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Sugi Predict / Compounds / SCHEMBL28956

SCHEMBL28956

SCHEMBL28956

Cc1cc(C)n(C[C@H]2C[C@@H](O)CN2Cc2ccc(/C=C/C(=O)NO)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 11/20 0.42
▸ HDAC6 Q9UBN7 10/20 0.42
▸ HDAC11 Q96DB2 7/20 0.42
▸ HDAC8 Q9BY41 7/20 0.42
▸ HDAC3 O15379 6/20 0.42
▸ HDAC2 Q92769 6/20 0.42
▸ HDAC4 P56524 5/20 0.42
▸ HDAC7 Q8WUI4 5/20 0.42
▸ HDAC10 Q969S8 5/20 0.42
▸ HDAC9 Q9UKV0 5/20 0.42
▸ HDAC5 Q9UQL6 5/20 0.42
▸ KCNH2 Q12809 4/20 0.40
▸ GAA P10253 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ APP P05067 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
SCHEMBL2734184 1.00 HDAC1 (0.42) HDAC1HDAC6HDAC11HDAC8HDAC3
SCHEMBL2733640 0.84 HDAC1 (0.52) HDAC1HDAC6HDAC11HDAC8HDAC3
SCHEMBL2733638 0.84 HDAC1 (0.52) HDAC1HDAC6HDAC11HDAC8HDAC3
SCHEMBL19968 0.84 HDAC1 (0.52) HDAC1HDAC6HDAC11HDAC8HDAC3
SCHEMBL31373 0.80 HDAC1 (0.39) HDAC1HDAC6HDAC11HDAC8HDAC3
SCHEMBL29480 0.80 HDAC1 (0.39) HDAC1HDAC6HDAC11HDAC8HDAC3
SCHEMBL27521 0.77 HDAC1 (0.45) HDAC1HDAC6HDAC11HDAC8HDAC3
SCHEMBL27520 0.77 HDAC1 (0.45) HDAC1HDAC6HDAC11HDAC8HDAC3
SCHEMBL29344 0.75 HDAC11 (0.48) HDAC1HDAC6HDAC11HDAC8HDAC3
SCHEMBL29343 0.75 HDAC11 (0.48) HDAC1HDAC6HDAC11HDAC8HDAC3

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 11 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-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
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 1/4885HDAC6 11/4885HDAC11 2/4885
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 HDAC1 1/4885HDAC6 10/4885HDAC11 2/4885

“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.