SCHEMBL4674412

SCHEMBL4674412

COc1ccc2cc(C(N)=O)ccc2c1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 7/20 0.52
MAPK1 P28482 1/20 0.50
CYP19A1 P11511 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
PLAU P00749 2/20 0.46
TSHR P16473 2/20 0.45
APOBEC3A P31941 1/20 0.45
HTT P42858 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44

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
SCHEMBL8164689 0.86 CA12 (0.57) NCEH1MAPK1CYP19A1CYP11B1CYP11B2
SCHEMBL7736295 0.86 NCEH1 (0.53) NCEH1CYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL3103867 0.83 NCEH1 (0.55) NCEH1PLAUALDH1A1CYP1A2CYP3A4
SCHEMBL7772381 0.82 MEN1 (0.51) NCEH1CYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL11806099 0.81 NCEH1 (0.49) NCEH1CYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL7776625 0.81 ALDH1A1 (0.53) NCEH1CYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL7469108 0.81 CYP1A2 (0.65) NCEH1MAPK1CYP19A1CYP11B1CYP11B2
SCHEMBL9782904 0.81 ALDH1A1 (0.53) NCEH1CYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL10543497 0.80 NCEH1 (0.48) NCEH1CYP19A1CYP11B1CYP11B2ALDH1A1
SCHEMBL7741792 0.79 NCEH1 (0.47) NCEH1MAPK1CYP19A1CYP11B1CYP11B2

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 86/4885MAPK1 417/4885CYP19A1 1013/4885

“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.