SCHEMBL6797381

SCHEMBL6797381

O=C(NOCc1ccccc1)c1cc(F)c(F)cc1Nc1ccc(F)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
CTSV O60911 3/20 0.54
CTSL P07711 3/20 0.54
PTGS2 P35354 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
FADS1 O60427 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
EGFR P00533 1/20 0.43
TDO2 P48775 3/20 0.42
IDO1 P14902 1/20 0.41
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL6799484 0.86 CTSV (0.61) NPC1RAB9ACTSVCTSLPTGS2
SCHEMBL6797571 0.86 CTSV (0.61) NPC1RAB9ACTSVCTSLPTGS2
SCHEMBL6797490 0.84 CTSV (0.53) NPC1RAB9ACTSVCTSLPTGS2
SCHEMBL6797461 0.83 CTSV (0.52) NPC1RAB9ACTSVCTSLPTGS2
SCHEMBL6799635 0.83 CTSV (0.62) NPC1RAB9ACTSVCTSLMEN1
SCHEMBL6801114 0.82 CTSV (0.51) NPC1RAB9ACTSVCTSLPTGS2
SCHEMBL6800574 0.81 CTSV (0.54) NPC1RAB9ACTSVCTSLMEN1
SCHEMBL6801432 0.79 CTSV (0.48) NPC1RAB9ACTSVCTSLPTGS2
SCHEMBL6800501 0.77 IDO1 (0.55) NPC1RAB9ACTSVCTSLMEN1
SCHEMBL6801599 0.76 NPC1 (0.53) 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 NPC1 2059/4885RAB9A 366/4885CTSV 1587/4885

“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.