SCHEMBL28207

SCHEMBL28207

Cc1nn(-c2ccccc2)c(C)c1C(O)[C@H]1C[C@H](O)CN1Cc1ccc(C=CC(=O)NO)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.38
KCNH2 Q12809 5/20 0.38
HDAC2 Q92769 5/20 0.38
HDAC6 Q9UBN7 5/20 0.38
HDAC11 Q96DB2 2/20 0.37
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
HDAC8 Q9BY41 4/20 0.37
APP P05067 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
HDAC3 O15379 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 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
SCHEMBL2733731 1.00 HDAC1 (0.38) HDAC1KCNH2HDAC2HDAC6HDAC11
SCHEMBL19821 0.82 HDAC1 (0.46) HDAC1KCNH2HDAC2HDAC6HDAC11
SCHEMBL19820 0.82 HDAC1 (0.46) HDAC1KCNH2HDAC2HDAC6HDAC11
SCHEMBL2731322 0.76 HDAC1 (0.41) HDAC1KCNH2HDAC2HDAC6HDAC11
SCHEMBL2731321 0.76 HDAC1 (0.41) HDAC1KCNH2HDAC2HDAC6HDAC11
SCHEMBL2732664 0.74 HDAC1 (0.41) HDAC1KCNH2HDAC2HDAC6HDAC11
SCHEMBL2732662 0.74 HDAC1 (0.41) HDAC1KCNH2HDAC2HDAC6HDAC11
SCHEMBL27521 0.70 HDAC1 (0.45) HDAC1KCNH2HDAC2HDAC6HDAC11
SCHEMBL27520 0.70 HDAC1 (0.45) HDAC1KCNH2HDAC2HDAC6HDAC11
SCHEMBL28956 0.69 HDAC1 (0.42) 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 6 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-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 2891/4885HDAC2 4/4885
US-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 HDAC1 1/4885KCNH2 3187/4885HDAC2 4/4885

“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.