SCHEMBL6801411

SCHEMBL6801411

COc1ccc(Nc2cc(F)c(F)cc2C(=O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 15/20 0.71
AKR1C2 P52895 15/20 0.71
CTSV O60911 3/20 0.64
CTSL P07711 3/20 0.64
MEN1 O00255 2/20 0.60
LMNA P02545 2/20 0.60
KMT2A Q03164 2/20 0.60
POLB P06746 1/20 0.60
MAPT P10636 1/20 0.60
HPGD P15428 1/20 0.51
GFER P55789 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL1415572 0.89 AKR1C3 (0.82) AKR1C3AKR1C2CTSVCTSLMEN1
SCHEMBL14598928 0.88 AKR1C3 (0.71) AKR1C3AKR1C2CTSVCTSLMEN1
SCHEMBL14598923 0.85 AKR1C3 (0.78) AKR1C3AKR1C2CTSVCTSLMEN1
SCHEMBL6801970 0.85 AKR1C3 (0.73) AKR1C3AKR1C2CTSVCTSLMEN1
SCHEMBL31500240 0.84 AKR1C3 (0.69) AKR1C3AKR1C2CTSVCTSLMEN1
SCHEMBL8773601 0.84 AKR1C3 (0.81) AKR1C3AKR1C2CTSVCTSLMEN1
SCHEMBL14598926 0.84 AKR1C3 (0.81) AKR1C3AKR1C2CTSVCTSLMEN1
SCHEMBL9593627 0.83 MEN1 (0.83) AKR1C3AKR1C2CTSVCTSLMEN1
SCHEMBL9595058 0.83 AKR1C3 (1.00) AKR1C3AKR1C2MEN1LMNAKMT2A
SCHEMBL6801722 0.83 CTSV (0.60) AKR1C3AKR1C2CTSVCTSLMEN1

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 AKR1C3 4233/4885AKR1C2 4195/4885CTSV 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.