SCHEMBL4942845

SCHEMBL4942845

Fc1ccc(-c2cccc3ccn(Cc4ccccc4)c23)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ICMT O60725 1/20 0.43
APP P05067 3/20 0.42
PTGS2 P35354 2/20 0.40
PTGS1 P23219 1/20 0.40
LMNA P02545 1/20 0.40
SNCA P37840 2/20 0.39
HTR6 P50406 2/20 0.39
PTGER4 P35408 3/20 0.38
PTGDR Q13258 3/20 0.38
MDM2 Q00987 1/20 0.38
ALDH1A1 P00352 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
MAOB P27338 2/20 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
SCHEMBL27731246 0.78 ICMT (0.41) ICMTPTGS2PTGS1LMNAMDM2
SCHEMBL4940403 0.78 ICMT (0.53) ICMTAPPSNCAHTR6
SCHEMBL4940965 0.74 SERPINE1 (0.58) APPSNCAPTGER4PTGDR
SCHEMBL4048027 0.73 SERPINE1 (0.64) ICMTPTGER4PTGDRADORA1NPSR1
SCHEMBL6190025 0.71 KCNA3 (0.52) APPLMNASNCAHTR6MAOB
SCHEMBL31257891 0.70 HTR6 (0.59) HTR6
SCHEMBL10019302 0.69 KDM4E (0.47) LMNAPTGER4ALDH1A1NPSR1
SCHEMBL22146185 0.69 PTGS2 (0.38) ICMTPTGS2PTGS1MDM2
SCHEMBL20898128 0.68 PTGS2 (0.58) PTGS2PTGS1ADORA2AADORA1
SCHEMBL31067152 0.68 PTGS2 (0.58) PTGS2PTGS1ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214647-A1 SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) WYETH (US) 2008-09-04 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
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
US-20030125371-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) WYETH 2003-07-03 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 (3 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-20080214647-A1 SUBSTITUTED INDOLE ACID DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 (PAI-1) SERPINE1, TFPI, F12 ICMT 2384/4885APP 3337/4885PTGS2 656/4885
US-20060167059-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) SERPINE1, TFPI, F12 ICMT 2376/4885APP 3317/4885PTGS2 656/4885
US-20030125371-A1 Substituted indole acid derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1) TFPI, SERPINE1, PLAT ICMT 2468/4885APP 3317/4885PTGS2 429/4885

“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.