SCHEMBL4020530

SCHEMBL4020530

CCCCCc1c(-c2ccc3c(Br)c(OCC#N)ccc3c2)[nH]c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.40
PTPN1 P18031 2/20 0.39
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ALOX5 P09917 1/20 0.37
PDE10A Q9Y233 1/20 0.36

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
SCHEMBL4031173 0.91 CXCR2 (0.37) HTR6PTPN1PDE10A
SCHEMBL4023445 0.84 PSEN1 (0.45) DRD2HTR2AHTR2CALOX5
SCHEMBL4024327 0.83 PTPN1 (0.44) PTPN1ALOX5
SCHEMBL6579756 0.81 PTPN1 (0.49) PTPN1
SCHEMBL4027251 0.80 PTPN1 (0.47) HTR6PTPN1
SCHEMBL4024325 0.80 PSEN1 (0.42) PTPN1
SCHEMBL4026345 0.78 PSEN1 (0.41) PTPN1
SCHEMBL4027205 0.77 PTPN1 (0.41) PTPN1
SCHEMBL4021443 0.75 PSEN1 (0.38) PTPN1
SCHEMBL4027163 0.74 PSEN1 (0.38) PTPN1

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 HTR6 368/4885PTPN1 778/4885DRD2 992/4885
US-20080182883-A1 SUBSTITUTED NAPHTHYL INDOLE DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) TFPI, SERPINE1, F12 HTR6 437/4885PTPN1 658/4885DRD2 994/4885
US-20030032626-A1 Substituted naphthyl indole derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) TFPI, SERPINE1, SERPINC1 HTR6 145/4885PTPN1 958/4885DRD2 1292/4885
US-20040266733-A1 Substituted naphthyl indole derivatives as inhibitors of plasminogen activator inhibitor Type-1 (PAI-1) TFPI, SERPINE1, SERPINC1 HTR6 138/4885PTPN1 902/4885DRD2 1224/4885

“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.