SCHEMBL5081975

SCHEMBL5081975

CC(C)[C@H]1NC(=O)c2ccc(C(=O)NO)cc2NC1=O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.54
THRB P10828 2/20 0.54
HDAC6 Q9UBN7 6/20 0.49
HDAC1 Q13547 4/20 0.49
HDAC8 Q9BY41 3/20 0.49
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RAB9A P51151 1/20 0.45
BACE1 P56817 2/20 0.38
ALOX5 P09917 1/20 0.38
MKNK1 Q9BUB5 1/20 0.36
POLB P06746 1/20 0.34

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
SCHEMBL5081584 1.00 GAA (0.54) GAATHRBHDAC6HDAC1HDAC8
SCHEMBL5579644 1.00 GAA (0.54) GAATHRBHDAC6HDAC1HDAC8
SCHEMBL5077583 0.86 GAA (0.70) GAATHRBHDAC6HDAC1HDAC8
SCHEMBL5082080 0.86 GAA (0.70) GAATHRBHDAC6HDAC1HDAC8
SCHEMBL5579438 0.86 GAA (0.50) GAATHRBMEN1KMT2ARAB9A
SCHEMBL5077585 0.86 GAA (0.70) GAATHRBHDAC6HDAC1HDAC8
SCHEMBL5579442 0.86 GAA (0.50) GAATHRBMEN1KMT2ARAB9A
SCHEMBL14472937 0.83 HDAC6 (0.55) GAATHRBHDAC6HDAC1HDAC8
SCHEMBL5579386 0.82 GAA (0.54) GAATHRBHDAC6HDAC1HDAC8
SCHEMBL5081684 0.82 GAA (0.54) GAATHRBHDAC6HDAC1HDAC8

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 GAA 1711/4885THRB 1827/4885HDAC6 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.