SCHEMBL5551602

SCHEMBL5551602

CC(C)(C)OC(=O)Cn1c(=O)c(=O)[nH]c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
GRIA1 P42261 4/20 0.51
GRIA2 P42262 4/20 0.51
GRIA3 P42263 4/20 0.51
GRIA4 P48058 4/20 0.51
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
KMT2A Q03164 1/20 0.42
GRIN2D O15399 2/20 0.42
GRIN3B O60391 2/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2A Q12879 2/20 0.42
GRIN2B Q13224 2/20 0.42
GRIN2C Q14957 2/20 0.42
GRIN3A Q8TCU5 2/20 0.42
POLB P06746 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
PARP1 P09874 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
SCHEMBL3591401 0.86 MEN1 (0.55) KDM4EALDH1A1SMN1; SMN2MEN1CYP1A2
SCHEMBL9396483 0.85 KDM4E (0.72) KDM4EALDH1A1SMN1; SMN2GRIA1GRIA2
SCHEMBL9395583 0.82 GRIA1 (0.54) KDM4EALDH1A1SMN1; SMN2GRIA1GRIA2
SCHEMBL7359093 0.81 PDE5A (0.47) KDM4EALDH1A1GRIA1GRIA2GRIA3
SCHEMBL9613772 0.80 GRIA1 (0.66) KDM4EALDH1A1SMN1; SMN2GRIA1GRIA2
SCHEMBL4704936 0.79 GRIA1 (0.63) KDM4EGRIA1GRIA2GRIA3GRIA4
SCHEMBL31653996 0.79 GRIA1 (0.63) KDM4EGRIA1GRIA2GRIA3GRIA4
SCHEMBL8539712 0.77 GRIA1 (0.62) KDM4EALDH1A1SMN1; SMN2GRIA1GRIA2
SCHEMBL18171779 0.77 ALDH1A1 (0.64) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3311829 0.76 CYP1A2 (0.57) KDM4EALDH1A1SMN1; SMN2MEN1CYP1A2

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 KDM4E 1657/4885ALDH1A1 1112/4885SMN1; SMN2 4347/4885

“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.