SCHEMBL2731322

SCHEMBL2731322

Cc1n[nH]c(C)c1C(c1ccccc1)[C@@H]1C[C@H](O)CN1Cc1ccc(C=CC(=O)NO)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.41
KCNH2 Q12809 6/20 0.41
HDAC8 Q9BY41 5/20 0.38
HDAC2 Q92769 6/20 0.38
HDAC6 Q9UBN7 6/20 0.38
HDAC11 Q96DB2 4/20 0.37
HDAC5 Q9UQL6 3/20 0.37
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
APP P05067 1/20 0.37
HDAC3 O15379 3/20 0.37
HDAC4 P56524 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC9 Q9UKV0 2/20 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
SCHEMBL2731321 1.00 HDAC1 (0.41) HDAC1KCNH2HDAC8HDAC2HDAC6
SCHEMBL2732664 0.89 HDAC1 (0.41) HDAC1KCNH2HDAC8HDAC2HDAC6
SCHEMBL2732662 0.89 HDAC1 (0.41) HDAC1KCNH2HDAC8HDAC2HDAC6
SCHEMBL30078 0.76 HDAC1 (0.48) HDAC1KCNH2HDAC8HDAC2HDAC6
SCHEMBL30077 0.76 HDAC1 (0.48) HDAC1KCNH2HDAC8HDAC2HDAC6
SCHEMBL28207 0.76 HDAC1 (0.38) HDAC1KCNH2HDAC8HDAC2HDAC6
SCHEMBL2733731 0.76 HDAC1 (0.38) HDAC1KCNH2HDAC8HDAC2HDAC6
SCHEMBL29507 0.71 HDAC1 (0.35) HDAC1KCNH2HDAC8HDAC2HDAC6
SCHEMBL29506 0.71 HDAC1 (0.35) HDAC1KCNH2HDAC8HDAC2HDAC6
SCHEMBL19820 0.69 HDAC1 (0.46) HDAC1KCNH2HDAC2HDAC6HDAC11

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 2891/4885HDAC8 8/4885
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 HDAC1 1/4885KCNH2 3187/4885HDAC8 8/4885

“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.