SCHEMBL6790546

SCHEMBL6790546

CCN1CCc2c(c(Br)cc([N+](=O)[O-])c2NC(C)=O)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.45
GRIA2 P42262 1/20 0.45
GRIA3 P42263 1/20 0.45
GRIA4 P48058 1/20 0.45
TP53 P04637 1/20 0.39
MAPT P10636 4/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.36
GALR2 O43603 1/20 0.35
MITF O75030 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HPGD P15428 1/20 0.35
XBP1 P17861 1/20 0.35
CCR6 P51684 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPK1 P28482 2/20 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
SCHEMBL6785621 0.91 GAA (0.38) GRIA1GRIA2GRIA3GRIA4TP53
SCHEMBL6790298 0.85 GRIA1 (0.42) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL6783364 0.84 BAZ2B (0.41) MAPTGAAALDH1A1KDM4EMITF
SCHEMBL6780170 0.81 GRIA1 (0.42) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL6790290 0.80 MAPT (0.41) MAPTGAAALDH1A1KDM4EGALR2
SCHEMBL6790350 0.80 GRIA1 (0.51) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL7983678 0.80 BAZ2B (0.41) MAPTGAAALDH1A1KDM4EMITF
SCHEMBL6780229 0.77 GRIA1 (0.51) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL6785386 0.77 MAPT (0.39) MAPTGAAALDH1A1KDM4EGALR2
SCHEMBL3952616 0.72 GRIA1 (0.50) GRIA1GRIA2GRIA3GRIA4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030114422-A1 NOVEL QUINOXALINEDIONE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2003-06-19 US claimed
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
EP-0664807-A1 QUINOXALINEDIONE DERIVATIVES AS EAA ANTAGONISTS. WARNER LAMBERT CO (US) 1995-08-02 EP disclosed
WO-1994009000-A1 QUINOXALINEDIONE DERIVATIVES AS EAA ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1994-04-28 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-20030114422-A1 NOVEL QUINOXALINEDIONE DERIVATIVES, THEIR PREPARATION AND USE CHRNA3, CHRNA7, CHRNB3 GRIA1 41/4885GRIA2 25/4885GRIA3 16/4885

“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.