SCHEMBL6800574

SCHEMBL6800574

COc1cccc(Nc2cc(F)c(F)cc2C(=O)NOCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSV O60911 4/20 0.54
CTSL P07711 4/20 0.54
AKR1C3 P42330 3/20 0.52
AKR1C2 P52895 3/20 0.52
RAB9A P51151 6/20 0.52
NPC1 O15118 5/20 0.52
SIRT2 Q8IXJ6 1/20 0.49
PDE4B Q07343 1/20 0.48
USP2 O75604 1/20 0.46
LRRK2 Q5S007 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 1/20 0.46
GFER P55789 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
SCHEMBL6799635 0.89 CTSV (0.62) CTSVCTSLAKR1C3AKR1C2RAB9A
SCHEMBL6797490 0.87 CTSV (0.53) CTSVCTSLRAB9ANPC1SIRT2
SCHEMBL6799484 0.85 CTSV (0.61) CTSVCTSLRAB9ANPC1SIRT2
SCHEMBL6797571 0.82 CTSV (0.61) CTSVCTSLRAB9ANPC1SIRT2
SCHEMBL6797461 0.81 CTSV (0.52) CTSVCTSLRAB9ANPC1
SCHEMBL6797381 0.81 NPC1 (0.56) CTSVCTSLRAB9ANPC1MEN1
SCHEMBL6801970 0.81 AKR1C3 (0.73) CTSVCTSLAKR1C3AKR1C2RAB9A
SCHEMBL6801114 0.80 CTSV (0.51) CTSVCTSLRAB9ANPC1
SCHEMBL6801432 0.79 CTSV (0.48) CTSVCTSLRAB9ANPC1MEN1
SCHEMBL4214347 0.73 AKR1C3 (0.73) CTSVCTSLAKR1C3AKR1C2RAB9A

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 2111/4885AKR1C3 4233/4885

“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.