SCHEMBL28743

SCHEMBL28743

COC(=O)/C=C/c1ccc(CN2CCC[C@H]2CN2CCc3ccccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.43
HDAC1 Q13547 4/20 0.43
HDAC8 Q9BY41 3/20 0.43
KCNH2 Q12809 1/20 0.43
ALDH1A1 P00352 6/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
NR1H4 Q96RI1 2/20 0.39
ESR1 P03372 1/20 0.38
TNF P01375 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 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
SCHEMBL15235871 1.00 HDAC6 (0.43) HDAC6HDAC1HDAC8KCNH2ALDH1A1
SCHEMBL29014 0.89 HDAC1 (0.52) HDAC6HDAC1HDAC8KCNH2HDAC3
SCHEMBL29015 0.89 HDAC1 (0.52) HDAC6HDAC1HDAC8KCNH2HDAC3
SCHEMBL15235872 0.89 HDAC1 (0.52) HDAC6HDAC1HDAC8KCNH2HDAC3
SCHEMBL28688 0.89 HDAC1 (0.52) HDAC6HDAC1HDAC8KCNH2HDAC3
SCHEMBL2733156 0.80 HDAC8 (0.53) HDAC6HDAC1HDAC8KCNH2
SCHEMBL2733153 0.80 HDAC8 (0.53) HDAC6HDAC1HDAC8KCNH2
SCHEMBL19994 0.80 HDAC8 (0.53) HDAC6HDAC1HDAC8KCNH2
SCHEMBL30660 0.79 HDAC8 (0.52) HDAC6HDAC1HDAC8KCNH2ALDH1A1
SCHEMBL30653 0.79 HDAC6 (0.45) HDAC6HDAC1HDAC8KCNH2ALDH1A1

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
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 (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-20110060009-A1 Hydroxamate-Based Inhibitors of Deacetylases HDAC1, HDAC11, HDAC3 HDAC6 10/4885HDAC1 1/4885HDAC8 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.