SCHEMBL4750085

SCHEMBL4750085

O=C(O)C(=O)c1cn(Cc2ccccc2)c2cc(-c3cccc(Cl)c3)ccc12

nearest known ligand 0.84

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 9/20 0.84
ADORA1 P30542 2/20 0.51
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
PGR P06401 3/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ICMT O60725 1/20 0.43

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
SCHEMBL4940027 0.92 SERPINE1 (1.00) SERPINE1ADORA1ALDH1A1LMNACA12
SCHEMBL4941375 0.86 SERPINE1 (0.63) SERPINE1ADORA1ALDH1A1LMNAPGR
SCHEMBL3859418 0.82 SERPINE1 (0.80) SERPINE1ADORA1CA12CA1CA2
SCHEMBL4942305 0.82 SERPINE1 (0.81) SERPINE1ADORA1LMNACA12CA1
SCHEMBL3856027 0.80 SERPINE1 (0.85) SERPINE1ALDH1A1LMNAL3MBTL1MAPK1
SCHEMBL3857510 0.79 SERPINE1 (1.00) SERPINE1ADORA1L3MBTL1MAPK1NPSR1
SCHEMBL5625905 0.78 ADORA1 (0.78) SERPINE1ADORA1ALDH1A1LMNACA12
SCHEMBL3105145 0.77 SERPINE1 (0.59) SERPINE1ADORA1ALDH1A1LMNACA12
SCHEMBL3861443 0.77 ICMT (0.67) SERPINE1ADORA1NPSR1ICMT
SCHEMBL26675057 0.75 SERPINE1 (0.69) SERPINE1ADORA1L3MBTL1MAPK1ICMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008097897-A9 PHARMACEUTICAL COMPOSITIONS CONTAINING SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1(PAI-1) WYETH CORP (US) 2008-11-20 WO disclosed
US-20080214647-A1 SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH (US) 2008-09-04 US disclosed
WO-2008097953-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH (US) 2008-08-14 WO disclosed
WO-2008097897-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1(PAI-1) WYETH (US) 2008-08-14 WO disclosed
US-20080188540-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH (US) 2008-08-07 US disclosed
US-20080188543-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH (US) 2008-08-07 US disclosed
US-7368471-B2 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2008-05-06 US disclosed
EP-1844771-A2 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) Wyeth (US) 2007-10-17 EP disclosed
US-20070203220-A1 Inhibitors Of PAI-1 For Treatment Of Muscular Conditions WYETH (US) 2007-08-30 US disclosed
EP-1397130-B1 SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH CORP (US) 2007-07-25 EP disclosed
US-20060167059-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2006-07-27 US disclosed
US-7074817-B2 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH (US) 2006-07-11 US disclosed
EP-1397130-A1 SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) Wyeth (US) 2004-03-17 EP disclosed
US-20030125371-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH 2003-07-03 US disclosed
WO-2003000253-A1 SUBSTITUTED INDOLE ACID 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 (6 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-20070203220-A1 Inhibitors Of PAI-1 For Treatment Of Muscular Conditions SERPINE1, SERPINB1, SERPINC1 SERPINE1 1/4885ADORA1 2071/4885ALDH1A1 2351/4885
US-20080188540-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) SERPINE1, TFPI, MMP1 SERPINE1 1/4885ADORA1 145/4885ALDH1A1 789/4885
US-20080214647-A1 SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) SERPINE1, TFPI, F12 SERPINE1 1/4885ADORA1 739/4885ALDH1A1 1252/4885
US-20080188543-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) SERPINE1, MMP1, TFPI SERPINE1 1/4885ADORA1 130/4885ALDH1A1 781/4885
US-20060167059-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) SERPINE1, TFPI, F12 SERPINE1 1/4885ADORA1 737/4885ALDH1A1 1250/4885
US-20030125371-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) TFPI, SERPINE1, PLAT SERPINE1 2/4885ADORA1 628/4885ALDH1A1 1271/4885

“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.