SCHEMBL6789476

SCHEMBL6789476

CCCN1CCc2c(N)c([N+](=O)[O-])cc(Br)c2C1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
GAA P10253 3/20 0.42
GRIA1 P42261 2/20 0.41
GRIA2 P42262 2/20 0.41
GRIA3 P42263 2/20 0.41
GRIA4 P48058 2/20 0.41
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
CTSB P07858 1/20 0.36
PNMT P11086 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.34
L3MBTL1 Q9Y468 1/20 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
SCHEMBL6790350 0.90 GRIA1 (0.51) MAPTGAAGRIA1GRIA2GRIA3
SCHEMBL6780229 0.85 GRIA1 (0.51) MAPTGAAGRIA1GRIA2GRIA3
SCHEMBL6784062 0.83 GRIA1 (0.48) MAPTGRIA1GRIA2GRIA3GRIA4
SCHEMBL7984338 0.82 SIGMAR1 (0.45) MAPTGAAALDH1A1CTSB
SCHEMBL6790181 0.81 PNMT (0.40) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL6785621 0.81 GAA (0.38) MAPTGAAGRIA1GRIA2GRIA3
SCHEMBL7981751 0.81 SIGMAR1 (0.51) PNMT
SCHEMBL7981495 0.80 MEN1 (0.46) MAPTGAAALDH1A1CTSBPNMT
SCHEMBL9091690 0.78 CYP19A1 (0.39) MAPTALDH1A1CYP3A4MAPK1
SCHEMBL7981914 0.78 SIGMAR1 (0.45) MAPTGAAALDH1A1CTSB

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 7 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

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 MAPT 4482/4885GAA 2937/4885GRIA1 41/4885

“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.