SCHEMBL4027205

SCHEMBL4027205

CCCCCc1c(-c2ccc3c(Br)c(OCC#N)ccc3c2)n(C(C)=O)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.41
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 0.37
NCEH1 Q6PIU2 3/20 0.35
PRNP P04156 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 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
SCHEMBL4024325 0.87 PSEN1 (0.42) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL4025625 0.86 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4026179 0.84 PTPN1 (0.38) PTPN1NCEH1PRNPRXFP1SMN1; SMN2
SCHEMBL4026345 0.84 PSEN1 (0.41) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL4021443 0.80 PSEN1 (0.38) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL4027163 0.79 PSEN1 (0.38) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL4022869 0.78 PTPN1 (0.52) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL4020530 0.77 HTR6 (0.40) PTPN1
SCHEMBL6579756 0.76 PTPN1 (0.49) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL4024279 0.72 PSEN1 (0.53) 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 11 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 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-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
EP-1397356-A1 SUBSTITUTED NAPHTHYL INDOLE DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) Wyeth (US) 2004-03-17 EP disclosed
US-20030032626-A1 Substituted naphthyl indole derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) WYETH 2003-02-13 US disclosed
WO-2003000684-A1 SUBSTITUTED NAPHTHYL INDOLE DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-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 (4 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-20060014725-A1 Substituted naphthyl indole derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) TFPI, SERPINE1, F12 PTPN1 778/4885PSEN1 3586/4885PSEN2 4477/4885
US-20080182883-A1 SUBSTITUTED NAPHTHYL INDOLE DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) TFPI, SERPINE1, F12 PTPN1 658/4885PSEN1 3420/4885PSEN2 4336/4885
US-20030032626-A1 Substituted naphthyl indole derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) TFPI, SERPINE1, SERPINC1 PTPN1 958/4885PSEN1 3324/4885PSEN2 4221/4885
US-20040266733-A1 Substituted naphthyl indole derivatives as inhibitors of plasminogen activator inhibitor Type-1 (PAI-1) TFPI, SERPINE1, SERPINC1 PTPN1 902/4885PSEN1 3232/4885PSEN2 4172/4885

“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.