Sugi Predict

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SCHEMBL29097

SCHEMBL29097

COC(=O)/C=C/c1ccc(CN2CCC[C@H]2Cc2c[nH]c3ccccc23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 10/20 0.55
▸ KCNH2 Q12809 5/20 0.55
▸ HTR6 P50406 4/20 0.50
▸ HDAC3 O15379 6/20 0.48
▸ HDAC4 P56524 6/20 0.48
▸ HDAC7 Q8WUI4 6/20 0.48
▸ HDAC2 Q92769 6/20 0.48
▸ HDAC10 Q969S8 6/20 0.48
▸ HDAC11 Q96DB2 6/20 0.48
▸ HDAC8 Q9BY41 6/20 0.48
▸ HDAC6 Q9UBN7 6/20 0.48
▸ HDAC9 Q9UKV0 6/20 0.48
▸ HDAC5 Q9UQL6 6/20 0.48
▸ CYP2C19 P33261 1/20 0.47
▸ RAB9A P51151 1/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL29098 1.00 HDAC1 (0.55) HDAC1KCNH2HTR6HDAC3HDAC4
SCHEMBL29630 1.00 HDAC1 (0.55) HDAC1KCNH2HTR6HDAC3HDAC4
SCHEMBL29629 1.00 HDAC1 (0.55) HDAC1KCNH2HTR6HDAC3HDAC4
SCHEMBL29099 1.00 HDAC1 (0.55) HDAC1KCNH2HTR6HDAC3HDAC4
SCHEMBL30199 0.89 HDAC1 (0.66) HDAC1KCNH2HDAC3HDAC4HDAC7
SCHEMBL28328 0.89 HDAC1 (0.66) HDAC1KCNH2HDAC3HDAC4HDAC7
SCHEMBL28330 0.89 HDAC1 (0.66) HDAC1KCNH2HDAC3HDAC4HDAC7
SCHEMBL29695 0.89 HDAC1 (0.66) HDAC1KCNH2HDAC3HDAC4HDAC7
SCHEMBL2734140 0.89 HDAC1 (0.66) HDAC1KCNH2HDAC3HDAC4HDAC7
SCHEMBL28329 0.89 HDAC1 (0.66) 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 9 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 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
EP-2609078-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES Novartis AG (CH) 2013-07-03 — — EP disclosed
WO-2012025164-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2012-03-01 — — WO 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 2891/4885HTR6 2080/4885
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 HDAC1 1/4885KCNH2 3187/4885HTR6 2062/4885

“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.