SCHEMBL6806737

SCHEMBL6806737

O=c1c2cc(F)c(N3CCCC3)c(F)c2n(C2CC2)c(=O)n1O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.38
TOP2B Q02880 1/20 0.38
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PIM1 P11309 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
PIM3 Q86V86 1/20 0.36
CSNK1G1 Q9HCP0 1/20 0.36
KCNH2 Q12809 4/20 0.35
KDM4E B2RXH2 2/20 0.34
SCN5A Q14524 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CACNA1C Q13936 1/20 0.33

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
SCHEMBL6800057 0.85 PIM1 (0.52) TOP2ATOP2BPIM1GSK3AGSK3B
SCHEMBL6802314 0.84 PIM1 (0.38) TOP2ATOP2BPIM1GSK3AGSK3B
SCHEMBL6803845 0.81 TOP2A (0.34) TOP2ATOP2BHPGDHSD17B10PIM1
SCHEMBL6802382 0.80 LMNA (0.42) TOP2ATOP2BHPGDHSD17B10KDM4E
SCHEMBL4511364 0.76 KCNH2 (0.42) KCNH2SCN5A
Hydrochloric Acid SCHEMBL4508919 0.75 KCNH2 (0.42) KCNH2SCN5A
SCHEMBL6803855 0.75 EEF2K (0.37) TOP2ATOP2BGSK3BCYP2C9
SCHEMBL6800165 0.74 ALDH1A1 (0.57) TOP2ATOP2BPIM1GSK3AGSK3B
SCHEMBL6801242 0.74 TOP1 (0.47) HPGDHSD17B10PIM1GSK3AGSK3B
SCHEMBL6806759 0.74 ALDH1A1 (0.44) TOP2ATOP2BPIM1GSK3AGSK3B

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 TOP2A 3/4885TOP2B 23/4885HPGD 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.