SCHEMBL6783704

SCHEMBL6783704

CN1Cc2c(Br)cc([N+](=O)[O-])c(NC(=O)C(=O)O)c2C1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
MAPT P10636 4/20 0.33
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HSP90AA1 P07900 1/20 0.33
GRIA1 P42261 2/20 0.32
GRIA2 P42262 2/20 0.32
GRIA3 P42263 2/20 0.32
GRIA4 P48058 2/20 0.32
HTT P42858 1/20 0.32
SIRT6 Q8N6T7 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL6790290 0.87 MAPT (0.41) KDM4EPKML3MBTL1GAAALDH1A1
SCHEMBL6790298 0.78 GRIA1 (0.42) KDM4EGAAMAPTMAPK1SMN1; SMN2
SCHEMBL6780170 0.78 GRIA1 (0.42) KDM4EGAAMAPTMAPK1SMN1; SMN2
SCHEMBL14287201 0.75 ALDH1A1 (0.40) KDM4EPKMALDH1A1MAPTMAPK1
SCHEMBL6785386 0.74 MAPT (0.39) KDM4EPKML3MBTL1GAAALDH1A1
SCHEMBL6780461 0.74 MAPT (0.45) KDM4EPKMALDH1A1MAPTMAPK1
SCHEMBL6784833 0.72 MAPT (0.41) KDM4EPKMGAAALDH1A1HPGD
SCHEMBL6612610 0.70 ALDH1A1 (0.40) KDM4EPKML3MBTL1GAAALDH1A1
SCHEMBL6783364 0.70 BAZ2B (0.41) KDM4EGAAALDH1A1HPGDMAPT
SCHEMBL7983678 0.70 BAZ2B (0.41) KDM4EGAAALDH1A1HPGDMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0664807-B1 QUINOXALINEDIONE DERIVATIVES AS EAA ANTAGONISTS WARNER LAMBERT CO (US) 1997-09-10 EP claimed
EP-0664807-A1 QUINOXALINEDIONE DERIVATIVES AS EAA ANTAGONISTS. WARNER LAMBERT CO (US) 1995-08-02 EP claimed
WO-1994009000-A1 QUINOXALINEDIONE DERIVATIVES AS EAA ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1994-04-28 WO claimed
US-6703391-B2 THROMBOSIS, BRAIN DISORDERS, CARDIOVASCULAR DISORDERS, ALZHEIMER'S DISEASE, HUNTINGTON DISEASES NEUROSEARCH A/S (DK) 2004-03-09 US disclosed
US-20030114422-A1 NOVEL QUINOXALINEDIONE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2003-06-19 US disclosed
EP-0664807-B1 QUINOXALINEDIONE DERIVATIVES AS EAA ANTAGONISTS WARNER LAMBERT CO (US) 1997-09-10 EP 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-20030114422-A1 NOVEL QUINOXALINEDIONE DERIVATIVES, THEIR PREPARATION AND USE CHRNA3, CHRNA7, CHRNB3 KDM4E 3236/4885PKM 4478/4885L3MBTL1 3521/4885

“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.