SCHEMBL2732298

SCHEMBL2732298

CCc1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.53
HDAC3 O15379 1/20 0.51
NCOR1 O75376 1/20 0.51
HDAC2 Q92769 1/20 0.51
SLC16A3 O15427 1/20 0.49
PPARA Q07869 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
F10 P00742 1/20 0.49
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
NAMPT P43490 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PLK1 P53350 1/20 0.46
RECQL P46063 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
SCHEMBL1064323 0.89 HDAC1 (0.53) HDAC1NR1H4F10NPC1RAB9A
SCHEMBL30944730 0.89 HDAC1 (0.53) HDAC1NR1H4F10NPC1RAB9A
SCHEMBL3663495 0.88 HDAC1 (0.52) HDAC1NR1H4F10NPC1RAB9A
SCHEMBL1435144 0.88 HDAC1 (0.54) HDAC1HDAC3F10NAMPTMEN1
SCHEMBL2734093 0.87 HDAC1 (0.68) HDAC1HDAC3HDAC2F10RAB9A
SCHEMBL31635248 0.87 HDAC1 (0.55) HDAC1PPARANR1H4F10NAMPT
SCHEMBL1062994 0.86 F10 (0.55) HDAC1HDAC3HDAC2F10NPC1
SCHEMBL30944732 0.86 F10 (0.55) HDAC1HDAC3HDAC2F10NPC1
SCHEMBL2829176 0.86 POLB (0.56) HDAC1HDAC3HDAC2NR1H4F10
SCHEMBL31635255 0.85 LMNA (0.59) HDAC1PPARANR1H4F10NPC1

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-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 HDAC1 1/4885HDAC3 4/4885NCOR1 122/4885

“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.