SCHEMBL6789366

SCHEMBL6789366

O=c1[nH]c2c3c(ccc2n(Cc2ccccc2)c1=O)NCCC3

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.49
GRIA2 P42262 1/20 0.49
GRIA3 P42263 1/20 0.49
GRIA4 P48058 1/20 0.49
HPGD P15428 2/20 0.46
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR6 P50406 1/20 0.39
PARP1 P09874 1/20 0.36
ALB P02768 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.35
HTT P42858 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
SCHEMBL6789367 0.81 GRIA1 (0.49) GRIA1GRIA2GRIA3GRIA4HPGD
SCHEMBL8810185 0.76 GRIA1 (0.57) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL9395727 0.71 KDM4E (0.48) HPGDALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL30530478 0.67 APOBEC3G (0.61) GRIA1GRIA2GRIA3GRIA4HPGD
SCHEMBL7329647 0.67 APOBEC3G (0.61) GRIA1GRIA2GRIA3GRIA4HPGD
SCHEMBL6781370 0.67 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4PARP1
SCHEMBL10508287 0.64 PARG (0.53) GRIA1GRIA2GRIA3GRIA4HPGD
SCHEMBL1882626 0.64 TLR7 (0.45) HPGDALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL6780605 0.63 GRIA1 (0.49) GRIA1GRIA2GRIA3GRIA4LMNA
SCHEMBL9404614 0.63 FEN1 (0.53) HPGDALDH1A1SMN1; SMN2KDM4EKMT2A

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 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.