SCHEMBL6582969

SCHEMBL6582969

N#CCOc1ccc2cc(-c3oc4ccccc4c3CCC3CCCC3)ccc2c1Br

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.39
ANO1 Q5XXA6 1/20 0.32
MAPT P10636 2/20 0.30
TP53 P04637 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
MEN1 O00255 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL6580067 0.85 PTPN1 (0.53) PTPN1ANO1RXFP1TSHRKMT2A
SCHEMBL6579756 0.83 PTPN1 (0.49) PTPN1MAPTTP53RXFP1MEN1
SCHEMBL6580469 0.83 PTPN1 (0.37) PTPN1ANO1MAPTMEN1TSHR
SCHEMBL6582393 0.82 TP53 (0.41) PTPN1ANO1MAPTTP53RXFP1
SCHEMBL6583282 0.82 PTPN1 (0.46) PTPN1MAPTTP53RXFP1MEN1
SCHEMBL6581972 0.82 PTPN1 (0.46) PTPN1ANO1MAPTTP53MEN1
SCHEMBL6579770 0.75 L3MBTL1 (0.43) PTPN1ANO1MAPTSMN1; SMN2
SCHEMBL6581338 0.75 MTNR1A (0.41) MAPTTP53MEN1TSHRKMT2A
SCHEMBL6582700 0.74 PTPN1 (0.42) PTPN1ANO1MAPTTP53MEN1
SCHEMBL6582439 0.74 PTPN1 (0.39) PTPN1MAPTTP53RXFP1

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-1401822-A1 NAPHTHYL BENZOFURAN DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) Wyeth (US) 2004-03-31 EP disclosed
US-6599925-B2 Cardiovascular disorders; anticancer agents WYETH 2003-07-29 US disclosed
US-20030018067-A1 Substituted naphthyl benzofuran derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH 2003-01-23 US disclosed
WO-2003000671-A1 NAPHTHYL BENZOFURAN DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH (US) 2003-01-03 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-20030018067-A1 Substituted naphthyl benzofuran derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) F2R, SERPINE1, SERPINC1 PTPN1 1287/4885ANO1 3199/4885MAPT 4835/4885

“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.