SCHEMBL4672809

SCHEMBL4672809

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.37
EPHX2 P34913 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
DHODH Q02127 1/20 0.35
GRIA4 P48058 2/20 0.35
GRIA2 P42262 1/20 0.35
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TDO2 P48775 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
KLF5 Q13887 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
SIRT3 Q9NTG7 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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 0.88 ALDH1A1 (0.43) XDHMAPK1SMN1; SMN2TDO2SIRT2
SCHEMBL4674152 0.86 PLAU (0.45) MAPK1SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL4670537 0.86 CSNK2A2 (0.38) XDHMEN1KMT2A
SCHEMBL4670662 0.86 PLAU (0.38) MAPK1ALDH1A1MEN1KMT2A
SCHEMBL4672814 0.83 TDO2 (0.37) XDHTDO2
SCHEMBL4672813 0.80 XDH (0.35) XDHDHODHSMN1; SMN2TDO2TP53
SCHEMBL4672820 0.77 ERN1 (0.46) EPHX2NR1H4DHODHSIRT1RARB
SCHEMBL4674126 0.76 NCEH1 (0.43) MAPK1SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL4673957 0.70 ROCK1 (0.36) XDHMAPK1SMN1; SMN2ALDH1A1LMNA
SCHEMBL4670304 0.69 LCK (0.49) SIRT2SIRT1SIRT3ALDH1A1MAPT

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 XDH 1984/4885EPHX2 1586/4885NR1H4 1081/4885

“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.