SCHEMBL30446

SCHEMBL30446

COC(=O)/C=C/c1ccc(CN2CCC[C@@H]2Cc2c(C)nn(C)c2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.49
KCNH2 Q12809 1/20 0.49
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HTT P42858 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TYR P14679 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
NR1H4 Q96RI1 3/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35

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
SCHEMBL30076 0.90 HDAC1 (0.60) HDAC1KCNH2HDAC8HDAC6PTGDR2
SCHEMBL30079 0.90 HDAC1 (0.60) HDAC1KCNH2HDAC8HDAC6PTGDR2
SCHEMBL30626 0.85 KCNH2 (0.36) HDAC1KCNH2HDAC8HDAC6HTT
SCHEMBL29879 0.85 KCNH2 (0.36) HDAC1KCNH2HDAC8HDAC6PTGDR2
SCHEMBL2733156 0.80 HDAC8 (0.53) HDAC1KCNH2HDAC8HDAC6CA12
SCHEMBL19994 0.80 HDAC8 (0.53) HDAC1KCNH2HDAC8HDAC6CA12
SCHEMBL2733153 0.80 HDAC8 (0.53) HDAC1KCNH2HDAC8HDAC6CA12
SCHEMBL30660 0.79 HDAC8 (0.52) HDAC1KCNH2HDAC8HDAC6HTT
SCHEMBL1779497 0.79 HDAC1 (0.59) HDAC1KCNH2HTTCA12CA1
SCHEMBL1779498 0.79 HDAC1 (0.59) HDAC1KCNH2HTTCA12CA1

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 5 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
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 2891/4885HDAC8 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.