SCHEMBL801602

SCHEMBL801602

O=C1C(=O)c2c(C(=O)c3ccccc3)coc2C=C1Cl

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDF Q9HBH1 9/20 0.70
ALDH1A1 P00352 5/20 0.56
MAPT P10636 5/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
HTT P42858 4/20 0.56
HPGD P15428 4/20 0.56
KDM4E B2RXH2 4/20 0.56
LMNA P02545 3/20 0.56
HKDC1 Q2TB90 2/20 0.56
CDC25A P30304 1/20 0.56
CDC25B P30305 1/20 0.56
CDC25C P30307 1/20 0.56
MPI P34949 1/20 0.56
KDM5A P29375 1/20 0.54
NPSR1 Q6W5P4 4/20 0.52
MAPK1 P28482 4/20 0.52
TDP1 Q9NUW8 2/20 0.52
APAF1 O14727 1/20 0.52
CASP3 P42574 1/20 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
SCHEMBL16994983 0.87 PDF (0.73) PDFALDH1A1MAPTMEN1KMT2A
SCHEMBL801228 0.84 KDM5A (0.75) PDFALDH1A1MAPTMEN1KMT2A
SCHEMBL801710 0.83 PDF (0.62) PDFALDH1A1MAPTMEN1KMT2A
SCHEMBL289841 0.83 PDF (1.00) PDFMAPTKMT2AHPGDKDM4E
SCHEMBL290186 0.77 PDF (1.00) PDFALDH1A1MAPTMEN1KMT2A
SCHEMBL801229 0.76 PDF (0.71) PDFALDH1A1MAPTMEN1KMT2A
SCHEMBL801242 0.76 PDF (0.67) PDFKDM5A
SCHEMBL290290 0.75 PDF (1.00) PDFALDH1A1MAPTMEN1KMT2A
SCHEMBL801214 0.72 MAPT (1.00) PDFALDH1A1MAPTMEN1KMT2A
SCHEMBL16994913 0.71 KDM5A (0.78) PDFALDH1A1MAPTMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427057-B1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS SLOAN KETTERING INST CANCER (US) 2015-08-12 EP disclosed
US-20120071523-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2012-03-22 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-20120071523-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS PDF, EIF5B, EIF4E PDF 1/4885ALDH1A1 3464/4885MAPT 3128/4885

“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.