SCHEMBL4670539

SCHEMBL4670539

N#CCOc1ccc2cc(CN)ccc2c1-c1ccc(Cl)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
MAOB P27338 2/20 0.35
CSNK2A1 P68400 4/20 0.35
CCR5 P51681 1/20 0.34
XDH P47989 3/20 0.33
TAAR1 Q96RJ0 1/20 0.33
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31

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 0.88 ROCK1 (0.36) ROCK1CSNK2A1XDHNOS3NOS1
SCHEMBL4670664 0.88 ASIC3 (0.40) ROCK1CSNK2A1TAAR1
SCHEMBL4674157 0.86 MAOB (0.38) ROCK1MAOB
SCHEMBL4672814 0.85 TDO2 (0.37) ROCK1CSNK2A1XDHNOS3NOS1
SCHEMBL4670537 0.81 CSNK2A2 (0.38) XDH
SCHEMBL4675739 0.77 ROCK1 (0.36) ROCK1MRGPRX4MAOBCCR5XDH
SCHEMBL4674130 0.77 ROCK1 (0.41) ROCK1CSNK2A1CCR5
SCHEMBL4670203 0.75 ESR1 (0.46) ROCK1MAOBTAAR1
SCHEMBL4673952 0.70 ALDH1A1 (0.43) XDH
SCHEMBL4670662 0.69 PLAU (0.38)

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 ROCK1 1602/4885MRGPRX4 3182/4885MAOB 1634/4885

“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.