SCHEMBL6581848

SCHEMBL6581848

CCCCC(=O)c1c(-c2ccc3c(-c4ccc(C(F)(F)F)cc4)c(OCC#N)ccc3c2)oc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 1/20 0.38
PSEN1 P49768 7/20 0.37
ALOX5 P09917 5/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
BCHE P06276 1/20 0.34
PTPN1 P18031 5/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PPARG P37231 3/20 0.34
PTGES O14684 3/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK14 Q16539 1/20 0.33

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
SCHEMBL6579760 0.92 LMNA (0.39) ANO1LMNAHTTCNR1CNR2
SCHEMBL6580396 0.89 PTPN1 (0.45) ANO1PSEN1ALOX5LMNAHTT
SCHEMBL6580209 0.87 KDM4E (0.40) ANO1PSEN1ALOX5LMNAHTT
SCHEMBL6579600 0.86 LMNA (0.42) ANO1LMNAHTTCNR1CNR2
SCHEMBL6583841 0.85 PSEN1 (0.37) ANO1PSEN1ALOX5LMNAHTT
SCHEMBL6579841 0.85 LMNA (0.40) ANO1LMNAHTTCNR1CNR2
SCHEMBL6581594 0.85 PTPN1 (0.47) ANO1LMNAHTTCNR1CNR2
SCHEMBL6579740 0.81 PTPN1 (0.46) ANO1LMNAHTTPTPN1TP53
SCHEMBL6583618 0.81 LMNA (0.43) ANO1LMNAHTTCNR1CNR2
SCHEMBL6582342 0.79 KDM4E (0.43) LMNAHTTPTPN1TP53MAPT

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

“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.