SCHEMBL6801722

SCHEMBL6801722

O=C(O)c1cc(F)c(F)cc1Nc1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.60
CTSL P07711 3/20 0.60
MAPT P10636 3/20 0.51
GFER P55789 1/20 0.51
NGLY1 Q96IV0 1/20 0.51
DHODH Q02127 4/20 0.49
AKR1C3 P42330 5/20 0.47
AKR1C2 P52895 5/20 0.47
MPO P05164 1/20 0.47
CDC7 O00311 1/20 0.46
DAPK3 O43293 1/20 0.46
PAK4 O96013 1/20 0.46
PIM1 P11309 1/20 0.46
CDK2 P24941 1/20 0.46
FLT3 P36888 1/20 0.46
GSK3B P49841 1/20 0.46
CDK9 P50750 1/20 0.46
CDK5 Q00535 1/20 0.46
DYRK1A Q13627 1/20 0.46
MELK Q14680 1/20 0.46

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
SCHEMBL1415570 0.91 MAPT (0.56) CTSVCTSLMAPTGFERNGLY1
SCHEMBL6800703 0.88 CTSV (0.63) CTSVCTSLMAPTGFERNGLY1
SCHEMBL14598924 0.86 MAPT (0.65) CTSVCTSLMAPTGFERNGLY1
SCHEMBL8834266 0.84 DHODH (0.53) MAPTGFERNGLY1DHODHAKR1C3
SCHEMBL19934156 0.83 AKR1C3 (0.56) CTSVCTSLMAPTGFERNGLY1
SCHEMBL6801411 0.83 AKR1C3 (0.71) CTSVCTSLMAPTGFERAKR1C3
SCHEMBL6801430 0.82 MPO (0.57) CTSVCTSLMAPTGFERNGLY1
SCHEMBL4511303 0.81 GAA (0.52) CTSVCTSLMAPTDHODHMPO
SCHEMBL6800501 0.81 IDO1 (0.55) CTSVCTSLMAPTGFERAKR1C3
SCHEMBL14392041 0.80 AKR1C3 (0.51) CTSVCTSLMAPTGFERNGLY1

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 2111/4885MAPT 3674/4885

“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.