SCHEMBL5078443

SCHEMBL5078443

CC(C)C1Nc2ccc(C(=O)NCCCCCC(=O)NO)cc2NC1=O

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.74
THRB P10828 2/20 0.74
MEN1 O00255 1/20 0.62
RAB9A P51151 1/20 0.62
KMT2A Q03164 1/20 0.62
HDAC1 Q13547 12/20 0.56
HDAC2 Q92769 12/20 0.56
HDAC6 Q9UBN7 10/20 0.56
HDAC3 O15379 10/20 0.56
HDAC4 P56524 9/20 0.56
HDAC8 Q9BY41 9/20 0.56
HDAC9 Q9UKV0 9/20 0.56
HDAC7 Q8WUI4 6/20 0.52
HDAC10 Q969S8 6/20 0.52
HDAC11 Q96DB2 6/20 0.52
HDAC5 Q9UQL6 6/20 0.52

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
SCHEMBL5078436 1.00 GAA (0.74) GAATHRBMEN1RAB9AKMT2A
SCHEMBL5173391 0.90 GAA (0.77) GAATHRBMEN1RAB9AKMT2A
SCHEMBL5579700 0.90 GAA (0.77) GAATHRBMEN1RAB9AKMT2A
SCHEMBL14454662 0.88 GAA (0.78) GAATHRBMEN1RAB9AKMT2A
SCHEMBL14473030 0.88 GAA (0.78) GAATHRBMEN1RAB9AKMT2A
SCHEMBL8246060 0.88 GAA (0.57) GAATHRBMEN1RAB9AKMT2A
SCHEMBL5077585 0.81 GAA (0.70) GAATHRBMEN1RAB9AKMT2A
SCHEMBL5082080 0.81 GAA (0.70) GAATHRBMEN1RAB9AKMT2A
SCHEMBL5077653 0.81 HDAC3 (0.53) GAATHRBHDAC1HDAC2HDAC6
SCHEMBL5078940 0.81 HDAC3 (0.53) GAATHRBHDAC1HDAC2HDAC6

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
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
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 1711/4885THRB 1827/4885MEN1 4013/4885

“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.