Sugi Predict

Sugi Predict / Compounds / SCHEMBL29476

SCHEMBL29476

SCHEMBL29476

O=C(/C=C/c1ccc(CN2C[C@@H](O)C[C@@H]2Cc2c[nH]c3ccccc23)cc1)NO

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 20/20 0.57
▸ HDAC3 O15379 14/20 0.57
▸ HDAC4 P56524 14/20 0.57
▸ HDAC7 Q8WUI4 14/20 0.57
▸ HDAC2 Q92769 14/20 0.57
▸ HDAC10 Q969S8 14/20 0.57
▸ HDAC11 Q96DB2 14/20 0.57
▸ HDAC8 Q9BY41 14/20 0.57
▸ HDAC6 Q9UBN7 14/20 0.57
▸ HDAC9 Q9UKV0 14/20 0.57
▸ HDAC5 Q9UQL6 14/20 0.57
▸ KCNH2 Q12809 7/20 0.55
▸ 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
SCHEMBL28250 1.00 HDAC1 (0.57) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL2734170 1.00 HDAC1 (0.57) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL31064 1.00 HDAC1 (0.57) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL28328 0.85 HDAC1 (0.66) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL2734140 0.85 HDAC1 (0.66) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL28329 0.85 HDAC1 (0.66) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL30199 0.85 HDAC1 (0.66) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL29695 0.85 HDAC1 (0.66) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL28330 0.85 HDAC1 (0.66) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL2734164 0.82 HDAC1 (0.73) HDAC1HDAC3HDAC4HDAC7HDAC2

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 1/4885HDAC3 3/4885HDAC4 10/4885
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 HDAC1 1/4885HDAC3 3/4885HDAC4 9/4885

“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.