SCHEMBL4023599

SCHEMBL4023599

CCCCCc1c(-c2ccc3c(Br)c(OCc4nnn[nH]4)ccc3c2)n(Cc2ccc(C(C)(C)C)cc2)c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.36
POLB P06746 1/20 0.33
TP53 P04637 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
TLR7 Q9NYK1 1/20 0.31
AGTR1 P30556 3/20 0.31
AGTR2 P50052 3/20 0.31
GAA P10253 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ADRB2 P07550 1/20 0.30
RAB9A P51151 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 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
SCHEMBL4022525 0.93 PTPN1 (0.37) PTPN1SMN1; SMN2TLR7KDM4ENPC1
SCHEMBL4021443 0.86 PSEN1 (0.38) PTPN1POLBTP53SMN1; SMN2KMT2A
SCHEMBL4023176 0.86 PTPN1 (0.33) PTPN1SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL4021086 0.85 PTPN1 (0.37) PTPN1TP53SMN1; SMN2KMT2AMEN1
SCHEMBL4026179 0.82 PTPN1 (0.38) PTPN1SMN1; SMN2KMT2AMEN1NPC1
Diaplasinin SCHEMBL4024262 0.81 PLA2G4A (0.37) TP53SMN1; SMN2TLR7KDM4EPSEN1
Diaplasinin SCHEMBL30320322 0.81 PLA2G4A (0.37) TP53SMN1; SMN2TLR7KDM4EPSEN1
SCHEMBL4026345 0.78 PSEN1 (0.41) PTPN1SMN1; SMN2TLR7KDM4EPSEN1
SCHEMBL14279896 0.78 PPARG (0.38) SMN1; SMN2TLR7AGTR1AGTR2KDM4E
SCHEMBL4024377 0.76 TLR7 (0.33) TP53SMN1; SMN2KMT2AMEN1TLR7

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 18 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
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 PTPN1 3234/4885POLB 2880/4885TP53 329/4885
US-20060014725-A1 Substituted naphthyl indole derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) TFPI, SERPINE1, F12 PTPN1 778/4885POLB 1938/4885TP53 1836/4885
US-20080182883-A1 SUBSTITUTED NAPHTHYL INDOLE DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) TFPI, SERPINE1, F12 PTPN1 658/4885POLB 2100/4885TP53 1735/4885
US-20030032626-A1 Substituted naphthyl indole derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) TFPI, SERPINE1, SERPINC1 PTPN1 958/4885POLB 2377/4885TP53 1815/4885
US-20040266733-A1 Substituted naphthyl indole derivatives as inhibitors of plasminogen activator inhibitor Type-1 (PAI-1) TFPI, SERPINE1, SERPINC1 PTPN1 902/4885POLB 2542/4885TP53 1867/4885

“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.