SCHEMBL6794889

SCHEMBL6794889

O=C(O)c1cc(F)c(N2CCCC2)nc1NC1CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 11/20 0.46
PDE4A P27815 11/20 0.46
PDE4B Q07343 11/20 0.46
PDE4C Q08493 11/20 0.46
PDE4D Q08499 11/20 0.46
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
SYK P43405 1/20 0.40
GPR6 P46095 6/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40

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
SCHEMBL6802757 0.89 SYK (0.44) ROCK2ROCK1SYKGPR6
SCHEMBL6796678 0.83 NR2F2 (0.48) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL10468175 0.79 ROCK2 (0.48) ROCK2ROCK1SYK
SCHEMBL6797586 0.79 TRPA1 (0.45) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL10468298 0.77 ROCK2 (0.43) ROCK2ROCK1SYK
SCHEMBL6797210 0.74 KMT2A (0.48) ROCK2ROCK1
SCHEMBL4514203 0.74 TSHR (0.48) ROCK2
SCHEMBL6801980 0.73 HPGD (0.37) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL15635822 0.72 GPR6 (0.43) PDE4APDE4BPDE4CPDE4DGPR6
SCHEMBL10169541 0.71 BTK (0.40) ROCK2ROCK1SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825199-B2 7-Substituted quinazolin-2,4-diones useful as antibacterial agents WARNER-LAMBERT COMPANY 2004-11-30 US disclosed
EP-1028950-B1 7-SUBSTITUTED QUINAZOLIN-2,4-DIONES USEFUL AS ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 2003-05-02 EP disclosed
US-20020115674-A1 Novel 7-substituted quinazolin-2,4-diones useful as antibacterial agents DOMAGALA JOHN MICHAEL (US) 2002-08-22 US disclosed
US-6331538-B1 TREATMENT OF BACTERIAL INFECTION WARNER-LAMBERT COMPANY 2001-12-18 US disclosed
EP-1028950-A1 NOVEL 7-SUBSTITUTED QUINAZOLIN-2,4-DIONES USEFUL AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2000-08-23 EP disclosed
WO-1999021840-A1 NOVEL 7-SUBSTITUTED QUINAZOLIN-2,4-DIONES USEFUL AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1999-05-06 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-20020115674-A1 Novel 7-substituted quinazolin-2,4-diones useful as antibacterial agents NQO2, TOP1, TOP2A CHRM3 4539/4885PDE4A 521/4885PDE4B 296/4885

“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.