SCHEMBL6801320

SCHEMBL6801320

CN1CCN(c2nc3c(cc2F)c(=O)n(O)c(=O)n3C2CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
CYP1A2 P05177 6/20 0.40
HSD17B10 Q99714 6/20 0.40
CASP1 P29466 5/20 0.40
CASP7 P55210 5/20 0.40
CYP2C9 P11712 4/20 0.40
CYP3A4 P08684 3/20 0.40
MAPK1 P28482 2/20 0.40
TP53 P04637 1/20 0.40
USP2 O75604 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2D6 P10635 1/20 0.39
EEF2K O00418 2/20 0.39
HIF1A Q16665 3/20 0.38
CYP2C19 P33261 1/20 0.38
EEF2 P13639 1/20 0.38
DPP4 P27487 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CNR2 P34972 4/20 0.36

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
Hydrochloric Acid SCHEMBL7007854 0.99 ALDH1A1 (0.40) ALDH1A1CYP1A2HSD17B10CASP1CASP7
SCHEMBL6803855 0.90 EEF2K (0.37) CYP2C9KMT2AEEF2KEEF2DPP4
SCHEMBL6802354 0.81 EPHA2 (0.48) ALDH1A1HSD17B10KMT2AEEF2KEEF2
SCHEMBL6800242 0.81 LMNA (0.41) ALDH1A1HSD17B10CYP2C9CYP3A4MEN1
SCHEMBL6796311 0.78 ALDH1A1 (0.41) ALDH1A1CYP1A2HSD17B10CASP1CASP7
SCHEMBL9824938 0.73 ALDH1A1 (0.37) ALDH1A1CYP1A2HSD17B10CASP1CASP7
SCHEMBL9824335 0.73
SCHEMBL6495387 0.72 DPP4 (0.39) ALDH1A1HSD17B10KMT2AEEF2KEEF2
SCHEMBL6801438 0.71 LMNA (0.43) ALDH1A1CYP2C9MEN1KMT2AEEF2K
SCHEMBL10377610 0.71 DPP4 (0.62) ALDH1A1HSD17B10CYP2C9KMT2ADPP4

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 11 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 claimed
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
EP-1028950-A1 NOVEL 7-SUBSTITUTED QUINAZOLIN-2,4-DIONES USEFUL AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2000-08-23 EP claimed
WO-1999021840-A1 NOVEL 7-SUBSTITUTED QUINAZOLIN-2,4-DIONES USEFUL AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1999-05-06 WO 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 3064/4885CYP1A2 336/4885HSD17B10 3418/4885

“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.