SCHEMBL1486893

SCHEMBL1486893

CC(C)(C)OC(=O)N1CCN(Cc2ccc(/C=C/C(=O)NO)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.59
HDAC2 Q92769 8/20 0.59
HDAC8 Q9BY41 8/20 0.59
HDAC6 Q9UBN7 8/20 0.59
HDAC3 O15379 7/20 0.59
HDAC4 P56524 7/20 0.59
HDAC7 Q8WUI4 7/20 0.59
HDAC10 Q969S8 7/20 0.59
HDAC11 Q96DB2 7/20 0.59
HDAC9 Q9UKV0 7/20 0.59
HDAC5 Q9UQL6 7/20 0.59
GPR183 P32249 7/20 0.54
VEGFA P15692 1/20 0.48
EGLN1 Q9GZT9 1/20 0.48
KCNH2 Q12809 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL1486895 1.00 HDAC1 (0.59) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL1486971 0.89 GPR183 (0.52) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL1486969 0.89 GPR183 (0.52) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL1486957 0.86 HDAC3 (0.61) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL1486956 0.86 HDAC3 (0.61) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL6865839 0.85 HDAC1 (0.63) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL1486930 0.84 HDAC1 (0.61) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL1486928 0.84 HDAC1 (0.61) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL209383 0.83 VEGFA (0.53) GPR183VEGFAEGLN1MEN1KMT2A
SCHEMBL18038932 0.82 VEGFA (0.52) GPR183VEGFAEGLN1MEN1KMT2A

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-20110053925-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-03 US claimed
WO-2012025155-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2012-03-01 WO disclosed
WO-2012025155-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2012-03-01 WO disclosed
US-20110053925-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-03 US disclosed
US-20110053925-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-03 US disclosed
US-20110053925-A1 Hydroxamate-Based Inhibitors of Deacetylases NOVARTIS AG 2011-03-03 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 (1 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-20110053925-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 HDAC1 1/4885HDAC2 4/4885HDAC8 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.