SCHEMBL801514

SCHEMBL801514

COc1ccc(C(=O)c2coc3c(Cl)cc(O)cc23)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.64
MAPT P10636 4/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
RAB9A P51151 4/20 0.51
KMT2A Q03164 4/20 0.50
PDF Q9HBH1 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PTGS2 P35354 1/20 0.48
HTT P42858 3/20 0.48
LMNA P02545 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
SIRT1 Q96EB6 1/20 0.46
GAA P10253 2/20 0.46
MAPK1 P28482 2/20 0.46
TSHR P16473 1/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL289689 0.85 NPC1 (0.64) NPC1MAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL16994941 0.85 NPC1 (0.64) NPC1MAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL289724 0.82 NPC1 (0.57) NPC1MAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL299749 0.79 MAPT (0.53) NPC1MAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL289081 0.78 NPC1 (1.00) NPC1MAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL299172 0.78 PTGS2 (0.71) NPC1MAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL289532 0.78 NPC1 (0.57) NPC1MAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL801292 0.78 NPC1 (0.67) NPC1MAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL16994966 0.74 MAPT (0.47) NPC1MAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL18012070 0.73 NPC1 (0.85) 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 3 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

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.