SCHEMBL5081576

SCHEMBL5081576

CC(C)C[C@@H]1Nc2ccc(C(=O)NO)cc2NC1=O

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.69
POLB P06746 4/20 0.61
THRB P10828 2/20 0.54
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
MAPT P10636 7/20 0.49
TP53 P04637 4/20 0.49
LMNA P02545 4/20 0.49
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL5081579 1.00 GAA (0.69) GAAPOLBTHRBHDAC1HDAC8
SCHEMBL5081684 0.87 GAA (0.54) GAAPOLBTHRBHDAC1HDAC8
SCHEMBL5579386 0.87 GAA (0.54) GAAPOLBTHRBHDAC1HDAC8
SCHEMBL5077583 0.81 GAA (0.70) GAAPOLBTHRBHDAC1HDAC8
SCHEMBL5077585 0.81 GAA (0.70) GAAPOLBTHRBHDAC1HDAC8
SCHEMBL5082080 0.81 GAA (0.70) GAAPOLBTHRBHDAC1HDAC8
SCHEMBL5075531 0.81 HDAC1 (0.50) GAAPOLBTHRBHDAC1HDAC8
SCHEMBL5075535 0.81 HDAC1 (0.50) GAAPOLBTHRBHDAC1HDAC8
SCHEMBL5081599 0.79 GAA (0.60) GAAPOLBTHRBHDAC1HDAC8
SCHEMBL5081606 0.79 GAA (0.60) GAAPOLBTHRBHDAC1HDAC8

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 4 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
US-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase METHYLGENE, INC. (CA) 2007-07-05 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-20070155730-A1 Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase HDAC5, HDAC4, HDAC3 GAA 1711/4885POLB 1435/4885THRB 1827/4885

“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.