SCHEMBL4670752

SCHEMBL4670752

CCCc1c(C(=O)NCc2ccc3cc(OCC(=O)OC)ccc3c2)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.49
SMO Q99835 3/20 0.48
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
MAPK14 Q16539 2/20 0.45
GAA P10253 1/20 0.44
CYP1A1 P04798 1/20 0.43
HPGD P15428 1/20 0.43
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
ABCB1 P08183 1/20 0.40

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
SCHEMBL4672609 0.93 CCR1 (0.50) CCR1SMOALDH1A1MAPTMAPK14
SCHEMBL4670233 0.91 ALDH1A1 (0.56) SMOALDH1A1MAPTMAPK14GAA
SCHEMBL4670702 0.85 ALDH1A1 (0.56) SMOALDH1A1MAPTMAPK14GAA
SCHEMBL4670706 0.85 CCR1 (0.53) CCR1SMOALDH1A1MAPTMAPK14
SCHEMBL4672311 0.79 ALDH1A1 (0.47) SMOALDH1A1MAPTMAPK14GAA
SCHEMBL2862091 0.77 ALDH1A1 (0.53) CCR1ALDH1A1MAPTMAPK14GAA
SCHEMBL4673186 0.77 CCR1 (0.53) CCR1SMOALDH1A1MAPTMAPK14
SCHEMBL2852107 0.76 CCR1 (0.83) CCR1MAPTGAAHPGD
SCHEMBL2850622 0.75 ALDH1A1 (0.57) CCR1ALDH1A1MAPTMAPK14GAA
SCHEMBL3971476 0.74 ALDH1A1 (0.58) ALDH1A1MAPTMAPK14GAAHPGD

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 CCR1 106/4885SMO 2287/4885ALDH1A1 658/4885

“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.