SCHEMBL6583841

SCHEMBL6583841

CCCCC(=O)c1c(-c2ccc3c(-c4ccc(C(F)(F)F)cc4)c(OCc4nnn[nH]4)ccc3c2)oc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 13/20 0.37
ALOX5 P09917 11/20 0.37
ANO1 Q5XXA6 1/20 0.36
PPARG P37231 5/20 0.34
PTGES O14684 4/20 0.34
PTPN1 P18031 3/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
BCHE P06276 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
MAPK14 Q16539 1/20 0.32

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
SCHEMBL6584368 0.93 LMNA (0.35) ANO1PTPN1LMNAHTTBCHE
SCHEMBL6582762 0.87 LMNA (0.38) ANO1PTPN1LMNAHTTBCHE
SCHEMBL6583718 0.86 LMNA (0.36) ANO1PTPN1LMNAHTTBCHE
SCHEMBL6582356 0.86 PTPN1 (0.44) ANO1PTPN1LMNAHTTBCHE
SCHEMBL6581848 0.85 ANO1 (0.38) PSEN1ALOX5ANO1PPARGPTGES
SCHEMBL6580396 0.85 PTPN1 (0.45) PSEN1ALOX5ANO1PPARGPTPN1
SCHEMBL6580328 0.83 ANO1 (0.41) ANO1LMNAHTTBCHECNR1
SCHEMBL6580209 0.83 KDM4E (0.40) PSEN1ALOX5ANO1PPARGPTPN1
SCHEMBL7065995 0.80 PTPN1 (0.32) ANO1PTPN1
SCHEMBL6579740 0.78 PTPN1 (0.46) ANO1PTPN1LMNAHTT

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 6 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 claimed
US-6599925-B2 Cardiovascular disorders; anticancer agents WYETH 2003-07-29 US claimed
US-20030018067-A1 Substituted naphthyl benzofuran derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH 2003-01-23 US claimed
WO-2003000671-A1 NAPHTHYL BENZOFURAN DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH (US) 2003-01-03 WO claimed
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

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 PSEN1 3416/4885ALOX5 238/4885ANO1 3199/4885

“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.