SCHEMBL5547074

SCHEMBL5547074

CCn1c(=O)c(Nc2ccc(C(=O)OC)cc2)nc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PYGM P11217 4/20 0.63
▸ DRD2 P14416 2/20 0.57
▸ TBXA2R P21731 2/20 0.57
▸ MAPT P10636 6/20 0.54
▸ TP53 P04637 4/20 0.54
▸ HPGD P15428 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ PDE5A O76074 1/20 0.54
▸ ABCC1 P33527 1/20 0.54
▸ ABCG2 Q9UNQ0 1/20 0.54
▸ MAPK1 P28482 1/20 0.51
▸ CASP1 P29466 1/20 0.51
▸ CASP7 P55210 1/20 0.51
▸ PTGDR2 Q9Y5Y4 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ CFTR P13569 1/20 0.48

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
SCHEMBL5550427 0.85 PYGM (0.62) PYGMDRD2TBXA2RMAPTTP53
SCHEMBL14470780 0.83 PYGM (0.69) PYGMDRD2TBXA2RKDM4EL3MBTL1
SCHEMBL5547114 0.81 PYGM (0.60) PYGMMAPTTP53HPGDKDM4E
SCHEMBL5545682 0.79 PYGM (0.78) PYGMMAPTTP53KDM4EMEN1
SCHEMBL5550432 0.78 PYGM (0.78) PYGMMAPTTP53KDM4E
SCHEMBL5550231 0.78 PYGM (1.00) PYGMMAPTTP53HPGDKDM4E
SCHEMBL28402717 0.78 MAPK1 (0.72) MAPTTP53HPGDKDM4EALDH1A1
SCHEMBL28596201 0.77 DRD2 (0.71) DRD2TBXA2RMAPTTP53HPGD
SCHEMBL9107840 0.75 DRD2 (0.69) DRD2TBXA2RMAPTTP53HPGD
Ataquimast SCHEMBL1150373 0.75 KDM4E (0.65) PYGMMAPTTP53HPGDKDM4E

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-1711184-B1 (3-OXO-3,4-DIHYDRO-QUINOXALIN-2-YL-AMINO)-BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS GLYCOGEN PHOSPHORYLASE INHIBITORS FOR THE TREATMENT OF DIABETES AND OBESITY JANSSEN PHARMACEUTICA NV (BE) 2007-07-18 — — EP disclosed
EP-1711184-B1 (3-OXO-3,4-DIHYDRO-QUINOXALIN-2-YL-AMINO)-BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS GLYCOGEN PHOSPHORYLASE INHIBITORS FOR THE TREATMENT OF DIABETES AND OBESITY JANSSEN PHARMACEUTICA NV (BE) 2007-07-18 — — EP disclosed
EP-1711184-A1 (3-OXO-3,4-DIHYDRO-QUINOXALIN-2-YL-AMINO)-BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS GLYCOGEN PHOSPHORYLASE INHIBITORS FOR THE TREATMENT OF DIABETES AND OBESITY JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-18 — — EP disclosed
WO-2005067932-A1 (3-OXO-3, 4-DIHYDRO-QUINOXALIN-2-YL-AMINO) -BENZAMIDE DERIVATIVES AND RELATED COMPOUND AS GLYCOGEN PHOSPHORYLASE INHIBITORS FOR THE TREATMENT OF DIABETES AND OBESITY JANSSEN PHARMACEUTICA, N.V. (BE) 2005-07-28 — — WO disclosed
US-20050148586-A1 Quinoxalinones JANSSEN PHARMACEUTICA, N.V. (BE) 2005-07-07 — — US 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-20050148586-A1 Quinoxalinones SLC5A2, GPR119, GLS2 PYGM 271/4885DRD2 2978/4885TBXA2R 215/4885

“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.

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