SCHEMBL6801432

SCHEMBL6801432

O=C(NOCc1ccccc1)c1cc(F)c(F)cc1Nc1ccc(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.48
CTSL P07711 3/20 0.48
RAB9A P51151 5/20 0.47
NPC1 O15118 5/20 0.47
MAP2K1 Q02750 1/20 0.47
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
POLB P06746 1/20 0.45
PPIA P62937 1/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTGS2 P35354 1/20 0.42

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
SCHEMBL6797461 0.90 CTSV (0.52) CTSVCTSLRAB9ANPC1MAP2K1
SCHEMBL6801114 0.89 CTSV (0.51) CTSVCTSLRAB9ANPC1SMN1; SMN2
SCHEMBL6799484 0.87 CTSV (0.61) CTSVCTSLRAB9ANPC1MAPT
SCHEMBL6797490 0.85 CTSV (0.53) CTSVCTSLRAB9ANPC1PTGS2
SCHEMBL6797571 0.82 CTSV (0.61) CTSVCTSLRAB9ANPC1GAA
SCHEMBL6800574 0.79 CTSV (0.54) CTSVCTSLRAB9ANPC1ALDH1A1
SCHEMBL6799635 0.79 CTSV (0.62) CTSVCTSLRAB9ANPC1ALDH1A1
SCHEMBL6797381 0.79 NPC1 (0.56) CTSVCTSLRAB9ANPC1ALDH1A1
SCHEMBL6797269 0.77 NPC1 (0.56) CTSVCTSLRAB9ANPC1PTGS2
SCHEMBL6036035 0.77 MEN1 (0.48) RAB9ANPC1MAP2K1MEN1KMT2A

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 2111/4885RAB9A 366/4885

“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.