SCHEMBL2731981

SCHEMBL2731981

CC(C)(C)n1c(=O)[nH]c2sccc2c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 2/20 0.58
FEN1 P39748 2/20 0.58
ERCC1 P07992 1/20 0.58
ERCC4 Q92889 1/20 0.58
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PARP15 Q460N3 5/20 0.41
TNKS2 Q9H2K2 5/20 0.41
KMT2A Q03164 2/20 0.41
TNKS O95271 1/20 0.41
PARP1 P09874 1/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
CDC7 O00311 1/20 0.39
MAPK13 O15264 1/20 0.39
DAPK3 O43293 1/20 0.39
ROCK2 O75116 1/20 0.39
MAP4K4 O95819 1/20 0.39
PIM1 P11309 1/20 0.39
GSK3A P49840 1/20 0.39

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
SCHEMBL7005766 0.77 ERCC1 (0.64) ERCC5FEN1ERCC1ERCC4ALDH1A1
SCHEMBL1894456 0.74 FEN1 (1.00) ERCC5FEN1ERCC1ERCC4ALDH1A1
SCHEMBL2759479 0.73 ERCC1 (0.58) ERCC5FEN1ERCC1ERCC4ALDH1A1
SCHEMBL14945700 0.72 ERCC1 (0.49) ERCC5FEN1ERCC1ERCC4ALDH1A1
SCHEMBL14208214 0.72 LMNA (0.37) ERCC5FEN1LMNAMAPT
SCHEMBL9097551 0.70 DAO (0.42) ERCC5FEN1ERCC1ERCC4ALDH1A1
SCHEMBL4243895 0.70 ERCC1 (0.54) ERCC5FEN1ERCC1ERCC4ALDH1A1
SCHEMBL7650487 0.69 ADORA3 (0.61) ERCC5FEN1ERCC1ERCC4ALDH1A1
SCHEMBL29407350 0.69 ADORA3 (0.61) ERCC5FEN1ERCC1ERCC4ALDH1A1
SCHEMBL22041457 0.69 ERCC5 (0.62) ERCC5FEN1ALDH1A1KDM4ELMNA

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
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 ERCC5 572/4885FEN1 926/4885ERCC1 722/4885

“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.