SCHEMBL5081487

SCHEMBL5081487

CC(C)C1Nc2ccc(NC(=O)CCCCCCC(=O)c3ncco3)cc2NC1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 12/20 0.54
HDAC4 P56524 12/20 0.54
HDAC1 Q13547 12/20 0.54
HDAC7 Q8WUI4 12/20 0.54
HDAC2 Q92769 12/20 0.54
HDAC10 Q969S8 12/20 0.54
HDAC11 Q96DB2 12/20 0.54
HDAC8 Q9BY41 12/20 0.54
HDAC6 Q9UBN7 12/20 0.54
HDAC9 Q9UKV0 12/20 0.54
HDAC5 Q9UQL6 12/20 0.54
AURKB Q96GD4 1/20 0.43
GAA P10253 3/20 0.42
THRB P10828 2/20 0.42
FAAH O00519 3/20 0.39
CES1 P23141 2/20 0.39
NCEH1 Q6PIU2 1/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL5081482 1.00 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5077647 0.82 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5078940 0.82 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5077653 0.82 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5579397 0.82 GAA (0.50) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL5141292 0.80 PTPRC (0.52) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL5075680 0.76 HDAC1 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5075678 0.76 HDAC1 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7367228 0.71 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7365677 0.71 HDAC4 (0.82) HDAC3HDAC4HDAC1HDAC7HDAC2

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
EP-1940805-A1 BENZODIAZEPINE AND BENZOPIPERAZINE ANALOG INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2008-07-09 EP claimed
WO-2007022638-A1 BENZODIAZEPINE AND BENZOPIPERAZINE ANALOG INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-03-01 WO claimed
EP-1940805-A1 BENZODIAZEPINE AND BENZOPIPERAZINE ANALOG INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2008-07-09 EP disclosed
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase METHYLGENE, INC. (CA) 2007-07-05 US disclosed
WO-2007022638-A1 BENZODIAZEPINE AND BENZOPIPERAZINE ANALOG INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2007-03-01 WO 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-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase HDAC5, HDAC4, HDAC3 HDAC3 3/4885HDAC4 2/4885HDAC1 5/4885

“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.