SCHEMBL5081606

SCHEMBL5081606

CCC(C)C1Nc2ccc(C(=O)NO)cc2NC1=O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.60
THRB P10828 2/20 0.60
HDAC8 Q9BY41 3/20 0.51
HDAC6 Q9UBN7 3/20 0.51
HDAC1 Q13547 2/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
RAB9A P51151 1/20 0.48
POLB P06746 3/20 0.41
MAPT P10636 4/20 0.40
TP53 P04637 3/20 0.40
LMNA P02545 1/20 0.40
ALOX5 P09917 1/20 0.37

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
SCHEMBL5081599 1.00 GAA (0.60) GAATHRBHDAC8HDAC6HDAC1
SCHEMBL5077585 0.87 GAA (0.70) GAATHRBHDAC8HDAC6HDAC1
SCHEMBL5077583 0.87 GAA (0.70) GAATHRBHDAC8HDAC6HDAC1
SCHEMBL5082080 0.87 GAA (0.70) GAATHRBHDAC8HDAC6HDAC1
SCHEMBL5081576 0.79 GAA (0.69) GAATHRBHDAC8HDAC6HDAC1
SCHEMBL5081579 0.79 GAA (0.69) GAATHRBHDAC8HDAC6HDAC1
SCHEMBL17676990 0.74 CREBBP (0.51) GAATHRBMEN1KMT2ARAB9A
SCHEMBL31689221 0.74 CREBBP (0.51) GAATHRBMEN1KMT2ARAB9A
SCHEMBL17676998 0.74 CREBBP (0.51) GAATHRBMEN1KMT2ARAB9A
SCHEMBL30634601 0.74 CREBBP (0.51) GAATHRBMEN1KMT2ARAB9A

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 6 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
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 1827/4885HDAC8 9/4885

“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.