SCHEMBL5077653

SCHEMBL5077653

CC(C)C1Nc2ccc(NC(=O)CCCCCCC(=O)NO)cc2NC1=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 16/20 0.53
HDAC1 Q13547 16/20 0.53
HDAC6 Q9UBN7 16/20 0.53
HDAC2 Q92769 15/20 0.53
HDAC8 Q9BY41 13/20 0.53
HDAC4 P56524 11/20 0.53
HDAC9 Q9UKV0 11/20 0.53
GAA P10253 4/20 0.50
THRB P10828 2/20 0.50
HDAC10 Q969S8 11/20 0.48
HDAC11 Q96DB2 11/20 0.48
HDAC7 Q8WUI4 9/20 0.48
HDAC5 Q9UQL6 9/20 0.48
NCOR2 Q9Y618 2/20 0.47
PDGFRB P09619 2/20 0.47
FLT1 P17948 2/20 0.47
KDR P35968 2/20 0.47
PDGFRA P16234 1/20 0.47

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
SCHEMBL5078940 1.00 HDAC3 (0.53) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL5077647 1.00 HDAC3 (0.53) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL5579397 0.91 GAA (0.50) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL5141292 0.89 PTPRC (0.52) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL5075678 0.85 HDAC1 (0.54) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL5075680 0.85 HDAC1 (0.54) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL5081487 0.82 HDAC3 (0.54) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL5081482 0.82 HDAC3 (0.54) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL5078436 0.81 GAA (0.74) HDAC3HDAC1HDAC6HDAC2HDAC8
SCHEMBL5078443 0.81 GAA (0.74) HDAC3HDAC1HDAC6HDAC2HDAC8

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

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 3/4885HDAC1 5/4885HDAC6 24/4885

“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.