Sugi Predict

Sugi Predict / Compounds / SCHEMBL28840

SCHEMBL28840

SCHEMBL28840

O=C(/C=C/c1ccc(CN2CCC[C@@H]2C(=O)c2c[nH]c3ccccc23)cc1)NO

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 19/20 0.63
▸ KCNH2 Q12809 10/20 0.63
▸ HDAC6 Q9UBN7 10/20 0.61
▸ HDAC3 O15379 9/20 0.61
▸ HDAC4 P56524 9/20 0.61
▸ HDAC7 Q8WUI4 9/20 0.61
▸ HDAC2 Q92769 9/20 0.61
▸ HDAC10 Q969S8 9/20 0.61
▸ HDAC11 Q96DB2 9/20 0.61
▸ HDAC8 Q9BY41 9/20 0.61
▸ HDAC9 Q9UKV0 9/20 0.61
▸ HDAC5 Q9UQL6 9/20 0.61
▸ CYP2C19 P33261 1/20 0.48
▸ CYP3A4 P08684 1/20 0.47

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
SCHEMBL28841 1.00 HDAC1 (0.63) HDAC1KCNH2HDAC6HDAC3HDAC4
SCHEMBL29955 1.00 HDAC1 (0.63) HDAC1KCNH2HDAC6HDAC3HDAC4
SCHEMBL29956 1.00 HDAC1 (0.63) HDAC1KCNH2HDAC6HDAC3HDAC4
SCHEMBL28842 1.00 HDAC1 (0.63) HDAC1KCNH2HDAC6HDAC3HDAC4
SCHEMBL28328 0.82 HDAC1 (0.66) HDAC1KCNH2HDAC6HDAC3HDAC4
SCHEMBL28330 0.82 HDAC1 (0.66) HDAC1KCNH2HDAC6HDAC3HDAC4
SCHEMBL30199 0.82 HDAC1 (0.66) HDAC1KCNH2HDAC6HDAC3HDAC4
SCHEMBL29695 0.82 HDAC1 (0.66) HDAC1KCNH2HDAC6HDAC3HDAC4
SCHEMBL2734140 0.82 HDAC1 (0.66) HDAC1KCNH2HDAC6HDAC3HDAC4
SCHEMBL28329 0.82 HDAC1 (0.66) HDAC1KCNH2HDAC6HDAC3HDAC4

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 1/4885KCNH2 2891/4885HDAC6 11/4885
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 HDAC1 1/4885KCNH2 3187/4885HDAC6 10/4885

“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.