SCHEMBL2733484

SCHEMBL2733484

O=C(O)c1ccc(Cn2c(=O)[nH]c3sccc3c2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 2/20 0.50
ERCC5 P28715 2/20 0.50
FEN1 P39748 2/20 0.50
ERCC4 Q92889 2/20 0.50
HDAC1 Q13547 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
POLB P06746 5/20 0.44
MAPT P10636 4/20 0.44
GAA P10253 2/20 0.44
USP2 O75604 2/20 0.44
THRB P10828 1/20 0.44
NR4A1 P22736 1/20 0.44
APEX1 P27695 1/20 0.44
APOBEC3A P31941 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL6510464 0.86 ALDH1A1 (0.59) ERCC1ERCC5FEN1ERCC4MEN1
SCHEMBL10272797 0.82 ERCC1 (0.49) ERCC1ERCC5FEN1ERCC4HDAC1
SCHEMBL6518727 0.80 FEN1 (0.47) ERCC1ERCC5FEN1ERCC4HDAC1
SCHEMBL1064920 0.80 MEN1 (0.67) HDAC1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL210872 0.79 HDAC1 (0.74) HDAC1SMN1; SMN2POLBMAPTLMNA
SCHEMBL26606602 0.78 ERCC1 (0.45) ERCC1ERCC5FEN1ERCC4SMN1; SMN2
SCHEMBL1067505 0.76 HPGD (0.78) HDAC1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL2759479 0.73 ERCC1 (0.58) ERCC1ERCC5FEN1ERCC4MEN1
SCHEMBL2773897 0.73 ADORA2B (0.59) ERCC1ERCC5FEN1ERCC4HDAC1
SCHEMBL24570832 0.72 PARG (0.48) ERCC1ERCC5FEN1ERCC4KDM4E

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 5 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-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 ERCC1 722/4885ERCC5 572/4885FEN1 926/4885

“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.