SCHEMBL4670146

SCHEMBL4670146

N#CCOc1ccc2cc(CNC=O)ccc2c1Br

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 6/20 0.40
KMT2A Q03164 2/20 0.35
RXFP1 Q9HBX9 2/20 0.35
STS P08842 1/20 0.35
CYP19A1 P11511 1/20 0.35
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH7 P40394 1/20 0.33
PTPN1 P18031 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PRNP P04156 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
SCHEMBL4670151 0.85 NCEH1 (0.43) NCEH1KMT2ARXFP1STSCYP19A1
SCHEMBL4672459 0.83 ROCK1 (0.47) NCEH1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4673035 0.82 NCEH1 (0.45) NCEH1KMT2ARXFP1CYP19A1SMN1; SMN2
SCHEMBL5352174 0.80 RXFP1 (0.47) NCEH1KMT2ARXFP1STSCYP19A1
SCHEMBL4672526 0.80 NCEH1 (0.42) NCEH1PTPN1SMN1; SMN2
SCHEMBL4674130 0.79 ROCK1 (0.41) NCEH1KMT2ARXFP1STSCYP19A1
SCHEMBL4670360 0.78 NCEH1 (0.48) NCEH1KMT2APTPN1HPGDSMN1; SMN2
SCHEMBL4675398 0.78 ADH1B (0.39) ADH1BADH1CADH1AADH7HPGD
SCHEMBL4673571 0.77 NCEH1 (0.35) NCEH1KMT2ARXFP1PTPN1HPGD
SCHEMBL4670147 0.77 NCEH1 (0.43) NCEH1KMT2ARXFP1STSCYP19A1

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 NCEH1 86/4885KMT2A 3476/4885RXFP1 177/4885

“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.