Sugi Predict

Sugi Predict / Compounds / SCHEMBL20596

SCHEMBL20596

SCHEMBL20596

O=C(/C=C/c1ccc(CN2CCC[C@@H]2Cn2nc(C(F)(F)F)cc2C(F)(F)F)cc1)NO

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 13/20 0.46
▸ KCNH2 Q12809 7/20 0.46
▸ HDAC6 Q9UBN7 6/20 0.40
▸ HDAC8 Q9BY41 4/20 0.40
▸ HDAC3 O15379 2/20 0.40
▸ HDAC5 Q9UQL6 2/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.38
▸ CCR2 P41597 3/20 0.38
▸ ADAM17 P78536 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38

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
SCHEMBL2731320 1.00 HDAC1 (0.46) HDAC1KCNH2HDAC6HDAC8HDAC3
SCHEMBL29480 0.85 HDAC1 (0.39) HDAC1KCNH2HDAC6HDAC8HDAC3
SCHEMBL31373 0.85 HDAC1 (0.39) HDAC1KCNH2HDAC6HDAC8HDAC3
SCHEMBL2733638 0.80 HDAC1 (0.52) HDAC1KCNH2HDAC6HDAC8HDAC3
SCHEMBL2733640 0.80 HDAC1 (0.52) HDAC1KCNH2HDAC6HDAC8HDAC3
SCHEMBL19968 0.80 HDAC1 (0.52) HDAC1KCNH2HDAC6HDAC8HDAC3
SCHEMBL29220 0.75 HDAC1 (0.51) HDAC1KCNH2HDAC6HDAC8HDAC3
SCHEMBL2733869 0.75 HDAC1 (0.51) HDAC1KCNH2HDAC6HDAC8HDAC3
SCHEMBL30151 0.75 HDAC1 (0.51) HDAC1KCNH2HDAC6HDAC8HDAC3
SCHEMBL2733866 0.75 HDAC1 (0.51) HDAC1KCNH2HDAC6HDAC8HDAC3

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 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
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

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.