SCHEMBL5579256

SCHEMBL5579256

COC(=O)c1ccc2c(c1)NC(=O)[C@H](C(C)C)N2

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.66
THRB P10828 2/20 0.63
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
RAB9A P51151 1/20 0.52
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.44
ALOX5 P09917 1/20 0.42
PDPK1 O15530 1/20 0.40

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
SCHEMBL29397014 0.91 GAA (0.56) GAATHRBMEN1KMT2ARAB9A
SCHEMBL22963745 0.91 GAA (0.56) GAATHRBMEN1KMT2ARAB9A
SCHEMBL29026137 0.86 GAA (0.51) GAATHRBMEN1KMT2ARAB9A
SCHEMBL5176181 0.85 GAA (0.66) GAATHRBMEN1KMT2ARAB9A
SCHEMBL5176190 0.85 GAA (0.66) GAATHRBMEN1KMT2ARAB9A
SCHEMBL5077583 0.84 GAA (0.70) GAATHRBMEN1KMT2ARAB9A
SCHEMBL5077585 0.84 GAA (0.70) GAATHRBMEN1KMT2ARAB9A
SCHEMBL5082080 0.84 GAA (0.70) GAATHRBMEN1KMT2ARAB9A
SCHEMBL21606298 0.82 MEN1 (0.60) GAATHRBMEN1KMT2AALOX15
SCHEMBL30908507 0.82 MEN1 (0.60) GAATHRBMEN1KMT2AALOX15

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
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
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.