SCHEMBL6790350

SCHEMBL6790350

CCN1CCc2c(N)c([N+](=O)[O-])cc(Br)c2C1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.51
GRIA2 P42262 1/20 0.51
GRIA3 P42263 1/20 0.51
GRIA4 P48058 1/20 0.51
ALDH1A1 P00352 5/20 0.38
CYP3A4 P08684 1/20 0.38
CTSB P07858 1/20 0.38
CYP2D6 P10635 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 5/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6780229 0.95 GRIA1 (0.51) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL6789476 0.90 MAPT (0.42) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL6784062 0.82 GRIA1 (0.48) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL7981495 0.82 MEN1 (0.46) ALDH1A1CTSBL3MBTL1MAPTLMNA
SCHEMBL6784530 0.80 PNMT (0.38) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL7984338 0.80 SIGMAR1 (0.45) ALDH1A1CTSBMAPTGAAKDM4E
SCHEMBL6790546 0.80 GRIA1 (0.45) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL3952616 0.78 GRIA1 (0.50) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL7981751 0.78 SIGMAR1 (0.51)
SCHEMBL7980894 0.77 GAA (0.45) ALDH1A1MAPTLMNAGAAKDM4E

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.