SCHEMBL6800630

SCHEMBL6800630

O=C(O)c1cc(F)c(F)cc1Nc1ccccc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.53
CTSL P07711 3/20 0.53
CXCL8 P10145 1/20 0.53
KDM4E B2RXH2 1/20 0.52
GRIK1 P39086 1/20 0.49
MAPK8 P45983 1/20 0.48
MAPT P10636 1/20 0.47
GFER P55789 1/20 0.47
NGLY1 Q96IV0 1/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
AKR1C3 P42330 3/20 0.46
AKR1C2 P52895 3/20 0.46
AKR1B10 O60218 1/20 0.46
AKR1B1 P15121 1/20 0.46
AKR1C4 P17516 1/20 0.46
AKR1C1 Q04828 1/20 0.46
FABP4 P15090 3/20 0.46
FABP3 P05413 2/20 0.45

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
SCHEMBL6141189 0.88 FABP4 (0.62) CTSVCTSLKDM4EAKR1C3AKR1C2
SCHEMBL4256425 0.84 FABP4 (0.65) CXCL8KDM4EGRIK1MAPK8MAPT
SCHEMBL14576318 0.83 GRIK1 (0.54) CXCL8KDM4EGRIK1MAPK8MAPT
SCHEMBL6796364 0.82 CTSV (0.48) CTSVCTSLMAPTGFERNGLY1
SCHEMBL31633793 0.81 CXCL8 (0.51) CXCL8KDM4EGRIK1MAPK8MAPT
SCHEMBL4511303 0.81 GAA (0.52) CTSVCTSLMAPTRAB9ANPC1
SCHEMBL28005390 0.81 KDM4E (0.48) CXCL8KDM4EGRIK1MAPK8RAB9A
SCHEMBL4214728 0.81 ACLY (0.54) CXCL8KDM4EGRIK1AKR1C3AKR1C2
SCHEMBL1488894 0.79 MAP2K1 (0.65)
SCHEMBL29413443 0.79 MAP2K1 (0.65)

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 CTSV 1587/4885CTSL 2111/4885CXCL8 31/4885

“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.