SCHEMBL801274

SCHEMBL801274

COc1ccc(C(=O)c2coc3ccc(O)c(Cl)c23)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.74
KMT2A Q03164 5/20 0.70
TSHR P16473 4/20 0.70
ALDH1A1 P00352 3/20 0.70
L3MBTL1 Q9Y468 2/20 0.70
LMNA P02545 2/20 0.70
PKM P14618 2/20 0.70
MAPK1 P28482 2/20 0.70
HSD17B10 Q99714 2/20 0.70
HPGD P15428 2/20 0.70
MEN1 O00255 1/20 0.70
ATM Q13315 1/20 0.70
SMN1; SMN2 Q16637 3/20 0.63
NPSR1 Q6W5P4 1/20 0.63
NPC1 O15118 3/20 0.58
MAPT P10636 2/20 0.58
RAB9A P51151 2/20 0.51
PDF Q9HBH1 3/20 0.50
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL290635 0.85 TSHR (0.66) HTTKMT2ATSHRALDH1A1L3MBTL1
SCHEMBL288750 0.82 NPC1 (0.56) HTTKMT2ATSHRALDH1A1L3MBTL1
SCHEMBL299749 0.80 MAPT (0.53) HTTKMT2ATSHRALDH1A1L3MBTL1
SCHEMBL11256540 0.78 RAB9A (0.59) HTTKMT2AALDH1A1LMNAMAPK1
SCHEMBL801292 0.76 NPC1 (0.67) HTTKMT2ATSHRALDH1A1L3MBTL1
SCHEMBL18012070 0.74 NPC1 (0.85) HTTKMT2ATSHRALDH1A1L3MBTL1
SCHEMBL289081 0.74 NPC1 (1.00) HTTKMT2ATSHRALDH1A1L3MBTL1
SCHEMBL289724 0.73 NPC1 (0.57) KMT2ATSHRL3MBTL1MAPK1HPGD
SCHEMBL588963 0.71 KMT2A (0.71) KMT2ATSHRALDH1A1L3MBTL1LMNA
SCHEMBL12325869 0.71 NPC1 (0.74) KMT2ATSHRALDH1A1L3MBTL1LMNA

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
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
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 HTT 1858/4885KMT2A 3066/4885TSHR 2939/4885

“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.