SCHEMBL4021345

SCHEMBL4021345

CCCCCc1c(-c2ccc3cc(OCc4nnn[nH]4)ccc3c2)n(C)c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 6/20 0.36
PSEN2 P49810 6/20 0.36
APH1B Q8WW43 6/20 0.36
NCSTN Q92542 6/20 0.36
APH1A Q96BI3 6/20 0.36
PSENEN Q9NZ42 6/20 0.36
HPGD P15428 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GPBAR1 Q8TDU6 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
PPARG P37231 1/20 0.34
HSD11B1 P28845 2/20 0.34
MAPT P10636 2/20 0.33
TLR7 Q9NYK1 1/20 0.33
GRM2 Q14416 1/20 0.33
PDE2A O00408 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
Diaplasinin SCHEMBL30320322 0.88 PLA2G4A (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
Diaplasinin SCHEMBL4024262 0.88 PLA2G4A (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4023545 0.88 TUBB4A (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4021086 0.87 PTPN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3854572 0.84 PPARG (0.42) HPGDALDH1A1HSD17B10PPARGHSD11B1
SCHEMBL4025900 0.83 ALOX5AP (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4024279 0.81 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6579684 0.80 PTPN1 (0.38)
SCHEMBL4023365 0.79 HSD11B1 (0.34) HPGDALDH1A1HSD17B10MEN1KMT2A
SCHEMBL4022525 0.76 PTPN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629377-B2 Substituted naphthyl indole derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) WYETH (US) 2009-12-08 US claimed
EP-1397356-B1 SUBSTITUTED NAPHTHYL INDOLE DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) WYETH CORP (US) 2009-05-13 EP claimed
US-20080182883-A1 SUBSTITUTED NAPHTHYL INDOLE DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) WYETH (US) 2008-07-31 US claimed
US-7351730-B2 Substituted naphthyl indole derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) WYETH (US) 2008-04-01 US claimed
US-6939886-B2 Substituted naphthyl indole derivatives as inhibitors of plasminogen activator inhibitor Type-1 (PAI-1) WYETH (US) 2005-09-06 US claimed
US-20040266733-A1 Substituted naphthyl indole derivatives as inhibitors of plasminogen activator inhibitor Type-1 (PAI-1) WYETH 2004-12-30 US claimed
US-6800654-B2 FOR TREATING CONDITIONS RESULTING FROM FIBRINOLYTIC DISORDERS SUCH AS DEEP VEIN THROMBOSIS AND CORONARY HEART DISEASE, AND PULMONARY FIBROSIS. WYETH 2004-10-05 US claimed
US-20030032626-A1 Substituted naphthyl indole derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) WYETH 2003-02-13 US claimed
US-7629377-B2 Substituted naphthyl indole derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) WYETH (US) 2009-12-08 US disclosed
EP-1397356-B1 SUBSTITUTED NAPHTHYL INDOLE DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) WYETH CORP (US) 2009-05-13 EP disclosed
US-20080182883-A1 SUBSTITUTED NAPHTHYL INDOLE DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) WYETH (US) 2008-07-31 US disclosed
US-7351730-B2 Substituted naphthyl indole derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) WYETH (US) 2008-04-01 US disclosed
WO-2007092207-A1 COMPOSITIONS FOR THE DELIVERY OF SUBSTITUTED NAPHTHYL INDOLE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2007-08-16 WO disclosed
US-20070185186-A1 COMPOSITIONS FOR THE DELIVERY OF SUBSTITUTED NAPTHYL INDOLE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2007-08-09 US disclosed
US-20060014725-A1 Substituted naphthyl indole derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) WYETH (US) 2006-01-19 US disclosed
US-6939886-B2 Substituted naphthyl indole derivatives as inhibitors of plasminogen activator inhibitor Type-1 (PAI-1) WYETH (US) 2005-09-06 US disclosed
US-20040266733-A1 Substituted naphthyl indole derivatives as inhibitors of plasminogen activator inhibitor Type-1 (PAI-1) WYETH 2004-12-30 US disclosed
US-6800654-B2 FOR TREATING CONDITIONS RESULTING FROM FIBRINOLYTIC DISORDERS SUCH AS DEEP VEIN THROMBOSIS AND CORONARY HEART DISEASE, AND PULMONARY FIBROSIS. WYETH 2004-10-05 US disclosed
US-20030032626-A1 Substituted naphthyl indole derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) WYETH 2003-02-13 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 (5 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-20070185186-A1 COMPOSITIONS FOR THE DELIVERY OF SUBSTITUTED NAPTHYL INDOLE DERIVATIVES AND METHODS OF THEIR USE INMT, AANAT, NAPEPLD PSEN1 298/4885PSEN2 220/4885APH1B 3680/4885
US-20060014725-A1 Substituted naphthyl indole derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) TFPI, SERPINE1, F12 PSEN1 3586/4885PSEN2 4477/4885APH1B 3535/4885
US-20080182883-A1 SUBSTITUTED NAPHTHYL INDOLE DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) TFPI, SERPINE1, F12 PSEN1 3420/4885PSEN2 4336/4885APH1B 3384/4885
US-20030032626-A1 Substituted naphthyl indole derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) TFPI, SERPINE1, SERPINC1 PSEN1 3324/4885PSEN2 4221/4885APH1B 4036/4885
US-20040266733-A1 Substituted naphthyl indole derivatives as inhibitors of plasminogen activator inhibitor Type-1 (PAI-1) TFPI, SERPINE1, SERPINC1 PSEN1 3232/4885PSEN2 4172/4885APH1B 4063/4885

“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.