SCHEMBL4670147

SCHEMBL4670147

N#CCOc1ccc2cc(CC(N)=O)ccc2c1Br

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 5/20 0.43
RXFP1 Q9HBX9 4/20 0.38
KMT2A Q03164 1/20 0.38
STS P08842 1/20 0.37
CYP19A1 P11511 1/20 0.37
PTPN1 P18031 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 2/20 0.34
HPGD P15428 1/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
PRNP P04156 2/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
AKR1B1 P15121 1/20 0.34

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
SCHEMBL4672524 0.86 NCEH1 (0.45) NCEH1RXFP1KMT2ASTSCYP19A1
SCHEMBL4674126 0.84 NCEH1 (0.43) NCEH1RXFP1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4674130 0.83 ROCK1 (0.41) NCEH1RXFP1KMT2ASTSCYP19A1
SCHEMBL4673038 0.82 NCEH1 (0.49) NCEH1RXFP1CYP19A1KDM4ESMN1; SMN2
SCHEMBL4670678 0.79 NCEH1 (0.38) NCEH1RXFP1KMT2ASTSCYP19A1
SCHEMBL5352174 0.78 RXFP1 (0.47) NCEH1RXFP1KMT2ASTSCYP19A1
SCHEMBL4670151 0.78 NCEH1 (0.43) NCEH1RXFP1KMT2ASTSCYP19A1
SCHEMBL4670360 0.77 NCEH1 (0.48) NCEH1KMT2APTPN1KDM4ESMN1; SMN2
SCHEMBL4670146 0.77 NCEH1 (0.40) NCEH1RXFP1KMT2ASTSCYP19A1
SCHEMBL4673574 0.76 NCEH1 (0.38) NCEH1RXFP1KMT2APTPN1ALDH1A1

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 86/4885RXFP1 177/4885KMT2A 3476/4885

“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.