SCHEMBL4672814

SCHEMBL4672814

CC(C)(C)c1ccc(-c2c(OCC#N)ccc3cc(CN)ccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.37
XDH P47989 3/20 0.36
ROCK1 Q13464 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
KIF11 P52732 1/20 0.32
ALOX5 P09917 1/20 0.31
F9 P00740 1/20 0.31
CSNK2A1 P68400 1/20 0.30

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
SCHEMBL4673957 0.87 ROCK1 (0.36) XDHROCK1NOS3NOS1ALOX5
SCHEMBL4674157 0.85 MAOB (0.38) TDO2ROCK1
SCHEMBL4670539 0.85 ROCK1 (0.36) XDHROCK1NOS3NOS1CSNK2A1
SCHEMBL4670664 0.84 ASIC3 (0.40) ROCK1ALOX5CSNK2A1
SCHEMBL4672809 0.83 XDH (0.37) TDO2XDH
SCHEMBL4675480 0.78 XDH (0.36) TDO2XDHROCK1NOS3NOS1
SCHEMBL4672825 0.77 ESR1 (0.43) ROCK1NOS3NOS1F9
SCHEMBL4674130 0.74 ROCK1 (0.41) ROCK1CSNK2A1
SCHEMBL4673952 0.70 ALDH1A1 (0.43) TDO2XDH
SCHEMBL11330859 0.68 MAPT (0.43)

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 TDO2 1688/4885XDH 1984/4885ROCK1 1602/4885

“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.