SCHEMBL4674152

SCHEMBL4674152

COc1ccc(-c2c(OCC#N)ccc3cc(C(N)=O)ccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 4/20 0.45
PLAT P00750 2/20 0.45
PARP10 Q53GL7 2/20 0.42
PARP1 P09874 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
PARP4 Q9UKK3 1/20 0.42
ALDH1A1 P00352 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAP4K4 O95819 1/20 0.41
HPGDS O60760 1/20 0.40
MAPK1 P28482 1/20 0.40
CHEK2 O96017 3/20 0.39
PLG P00747 1/20 0.39
GRM2 Q14416 1/20 0.39
LMNA P02545 3/20 0.39
KDR P35968 1/20 0.39
TEK Q02763 1/20 0.39

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
SCHEMBL4673952 0.89 ALDH1A1 (0.43) PARP10ALDH1A1MAPK1CHEK2GRM2
SCHEMBL4670537 0.87 CSNK2A2 (0.38) PLAUMAP4K4CHEK2MEN1KMT2A
SCHEMBL4670662 0.87 PLAU (0.38) PLAUPARP10ALDH1A1MAPK1CHEK2
SCHEMBL4672809 0.86 XDH (0.37) ALDH1A1MAPK1LMNAMAPTSMN1; SMN2
SCHEMBL4674157 0.82 MAOB (0.38) ALDH1A1L3MBTL1PLGGRM2
SCHEMBL4670519 0.79 PLAU (0.41) PLAUPLATPARP10PARP1CA1
SCHEMBL4672254 0.78 PARP10 (0.51) PLAUPLATPARP10PARP1CA1
SCHEMBL4674126 0.77 NCEH1 (0.43) ALDH1A1MAPK1LMNAMAPTSMN1; SMN2
SCHEMBL4670304 0.75 LCK (0.49) PLAUPARP10PARP2PARP4ALDH1A1
SCHEMBL4673957 0.71 ROCK1 (0.36) ALDH1A1NPSR1MAPK1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397341-B1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) WYETH CORP (US) 2008-08-06 EP disclosed
EP-1397341-A1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) Wyeth (US) 2004-03-17 EP disclosed
US-6589970-B2 This invention provides novel compounds, pharmaceutical compositions and methods of treating thrombotic disorders in mammals, the compounds having the formula: WYETH 2003-07-08 US disclosed
US-20030045560-A1 6-(Aryl-amido or aryl-amidomethyl)-naphthalen-2-yloxy-acidic derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) WYETH 2003-03-06 US disclosed
WO-2003000649-A1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC 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 (1 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-20030045560-A1 6-(Aryl-amido or aryl-amidomethyl)-naphthalen-2-yloxy-acidic derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) SERPINC1, F11, SERPINE1 PLAU 36/4885PLAT 5/4885PARP10 1656/4885

“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.