SCHEMBL801888

SCHEMBL801888

COc1ccc(C(=O)c2coc3c2C(=O)C(=O)C=C3Cl)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDF Q9HBH1 12/20 0.73
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 4/20 0.46
MAPT P10636 3/20 0.46
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 2/20 0.46
RAB9A P51151 1/20 0.46
HKDC1 Q2TB90 1/20 0.46
NR4A1 P22736 1/20 0.46
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
HTT P42858 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL13077062 0.87 PDF (0.71) PDFNPSR1MAPTMAPK1TDP1
SCHEMBL16994921 0.87 PDF (0.67) PDFCYP1A2CYP3A4CYP2C9TSHR
SCHEMBL801241 0.86 PDF (0.73) PDFCYP1A2CYP3A4CYP2C9TSHR
SCHEMBL289618 0.85 PDF (1.00) PDFNPSR1MAPTMAPK1TDP1
SCHEMBL290717 0.84 PDF (1.00) PDFCYP1A2CYP3A4CYP2C9TSHR
SCHEMBL801722 0.84 PDF (0.63) PDFNPSR1MAPTMAPK1TDP1
SCHEMBL298938 0.79 MAPT (0.72) PDFCYP1A2CYP3A4CYP2C9TSHR
SCHEMBL289533 0.79 PDF (1.00) PDFCYP1A2CYP3A4CYP2C9TSHR
SCHEMBL801229 0.78 PDF (0.71) PDFTSHRNPSR1MAPTMAPK1
SCHEMBL801804 0.78 PDF (0.72) PDFCYP1A2CYP3A4CYP2C9TSHR

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
EP-2959898-A1 4,5-DIOXO-NAPHTHO[1,2-b]FURANS AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS Sloan-Kettering Institute for Cancer Research (US) 2015-12-30 EP disclosed
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
US-20120071523-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2012-03-22 US disclosed
WO-2010129049-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2010-11-11 WO 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 1/4885CYP1A2 3753/4885CYP3A4 3217/4885

“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.