SCHEMBL6784833

SCHEMBL6784833

CC(=O)Nc1c([N+](=O)[O-])cc(Cl)c2c1CN(C)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
GAA P10253 3/20 0.41
KDM4E B2RXH2 1/20 0.41
SLC9A1 P19634 1/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 3/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 2/20 0.36
KMT2A Q03164 3/20 0.36
PDE7A Q13946 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
VCAM1 P19320 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
GALR2 O43603 1/20 0.34
MITF O75030 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
SCHEMBL6790290 0.84 MAPT (0.41) MAPTGAAKDM4EMAPK1LMNA
SCHEMBL6612610 0.79 ALDH1A1 (0.40) MAPTGAAKDM4EMAPK1LMNA
SCHEMBL6780170 0.78 GRIA1 (0.42) MAPTGAAKDM4EMAPK1LMNA
SCHEMBL6790298 0.75 GRIA1 (0.42) MAPTGAAKDM4EMAPK1LMNA
SCHEMBL6784037 0.75 MAPT (0.42) MAPTMAPK1LMNAALDH1A1KMT2A
SCHEMBL14287208 0.73 GRIA1 (0.41) MAPTGAAMAPK1LMNAALDH1A1
SCHEMBL11638792 0.73 MAPT (0.47) MAPTGAAKDM4ESLC9A1MAPK1
SCHEMBL6783704 0.72 KDM4E (0.36) MAPTGAAKDM4EMAPK1ALDH1A1
SCHEMBL27883929 0.72 ALDH1A1 (0.48) MAPTGAAKDM4ESLC9A1LMNA
SCHEMBL1285464 0.72 MAPT (0.46) MAPTGAAKDM4ESLC9A1LMNA

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 MAPT 4482/4885GAA 2937/4885KDM4E 3236/4885

“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.