SCHEMBL801994

SCHEMBL801994

COc1ccc(C(=O)c2coc3c(Br)c(Br)ccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
PDF Q9HBH1 7/20 0.51
RAB9A P51151 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPK1 P28482 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HKDC1 Q2TB90 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
SLC22A12 Q96S37 2/20 0.46
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
CA2 P00918 1/20 0.43

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
SCHEMBL289532 0.82 NPC1 (0.57) NPC1MAPTSMN1; SMN2PDFRAB9A
SCHEMBL289689 0.80 NPC1 (0.64) NPC1MAPTSMN1; SMN2PDFRAB9A
SCHEMBL783460 0.76 SLC22A12 (0.55) NPC1MAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL299047 0.76 NPC1 (0.50) NPC1MAPTSMN1; SMN2PDFRAB9A
SCHEMBL290126 0.74 NPC1 (0.67) NPC1MAPTSMN1; SMN2PDFRAB9A
SCHEMBL588963 0.72 KMT2A (0.71) NPC1MAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL18012070 0.72 NPC1 (0.85) NPC1MAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL801514 0.72 NPC1 (0.64) NPC1MAPTSMN1; SMN2PDFRAB9A
SCHEMBL16994941 0.72 NPC1 (0.64) NPC1MAPTSMN1; SMN2PDFRAB9A
SCHEMBL299172 0.72 PTGS2 (0.71) NPC1MAPTSMN1; SMN2RAB9AKMT2A

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
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 NPC1 1866/4885MAPT 3128/4885SMN1; SMN2 2520/4885

“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.