SCHEMBL6801040

SCHEMBL6801040

CN1CCN(c2cc3c(cc2F)c(=O)n(OCc2ccccc2)c(=O)n3-c2cccc(F)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
THRB P10828 5/20 0.39
RXFP1 Q9HBX9 1/20 0.39
POLB P06746 1/20 0.38
DRD3 P35462 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
GRM5 P41594 1/20 0.37
ALDH1A2 O94788 1/20 0.36
ALDH1A3 P47895 1/20 0.36
NPC1 O15118 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
SCHEMBL6800733 0.92 THRB (0.46) ALDH1A1KDM4ELMNATHRBRXFP1
SCHEMBL6800773 0.91 HTR7 (0.44) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL6800569 0.91 MEN1 (0.47) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL6807024 0.88 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL6797098 0.88 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL6802535 0.87 TRPV4 (0.42) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL6802703 0.85 ALDH1A1 (0.41) ALDH1A1KDM4EPOLBALDH1A2ALDH1A3
SCHEMBL6798114 0.84 GNRHR (0.42) LMNATHRBRXFP1POLB
SCHEMBL6800538 0.83 THRB (0.41) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL6796406 0.83 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1028950-B1 7-SUBSTITUTED QUINAZOLIN-2,4-DIONES USEFUL AS ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 2003-05-02 EP claimed
US-20020115674-A1 Novel 7-substituted quinazolin-2,4-diones useful as antibacterial agents DOMAGALA JOHN MICHAEL (US) 2002-08-22 US claimed
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 ALDH1A1 3064/4885KDM4E 2528/4885HPGD 2513/4885

“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.