SCHEMBL6797461

SCHEMBL6797461

O=C(NOCc1ccccc1)c1cc(F)c(F)cc1Nc1cc(F)c(F)cc1F

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.52
CTSL P07711 3/20 0.52
NPC1 O15118 8/20 0.51
RAB9A P51151 7/20 0.51
PTGS2 P35354 1/20 0.45
EGFR P00533 1/20 0.43
BRD4 O60885 1/20 0.40
HDAC3 O15379 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
MAP2K1 Q02750 1/20 0.39

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
SCHEMBL6801114 0.91 CTSV (0.51) CTSVCTSLNPC1RAB9APTGS2
SCHEMBL6801432 0.90 CTSV (0.48) CTSVCTSLNPC1RAB9APTGS2
SCHEMBL6799484 0.86 CTSV (0.61) CTSVCTSLNPC1RAB9APTGS2
SCHEMBL6797571 0.86 CTSV (0.61) CTSVCTSLNPC1RAB9APTGS2
SCHEMBL6797490 0.84 CTSV (0.53) CTSVCTSLNPC1RAB9APTGS2
SCHEMBL6799635 0.83 CTSV (0.62) CTSVCTSLNPC1RAB9AEGFR
SCHEMBL6797381 0.83 NPC1 (0.56) CTSVCTSLNPC1RAB9APTGS2
SCHEMBL6797269 0.81 NPC1 (0.56) CTSVCTSLNPC1RAB9APTGS2
SCHEMBL6800574 0.81 CTSV (0.54) CTSVCTSLNPC1RAB9A
SCHEMBL6799839 0.74 NPC1 (0.57) NPC1RAB9APTGS2EGFR

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 2111/4885NPC1 2059/4885

“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.