SCHEMBL6796770

SCHEMBL6796770

O=c1[nH]c2cc(F)c(F)cc2c(=O)n1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.51
CTSL P07711 3/20 0.51
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 4/20 0.43
TSHR P16473 2/20 0.42
FEN1 P39748 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MPO P05164 1/20 0.40
XDH P47989 1/20 0.40
ALOX15 P16050 1/20 0.39
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HBB P68871 1/20 0.36

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
SCHEMBL6800178 0.85 THRB (0.40) CTSVCTSLALDH1A1KDM4ETSHR
SCHEMBL31337729 0.81 ALDH1A1 (0.42) CTSVCTSLALDH1A1KDM4ETSHR
SCHEMBL6797621 0.76 MPO (0.41) CTSVCTSLALDH1A1KDM4EFEN1
SCHEMBL31257899 0.74 ALDH1A1 (0.40) CTSVCTSLALDH1A1KDM4ETSHR
SCHEMBL6668697 0.74 CA9 (0.59) CTSVCTSLALDH1A1KDM4EFEN1
SCHEMBL4510980 0.74 CTSV (0.43) CTSVCTSLALDH1A1KDM4EFEN1
SCHEMBL860065 0.73 ALDH1A1 (0.56) ALDH1A1KDM4ETSHRHPGDSMN1; SMN2
SCHEMBL10347428 0.73 ALDH1A1 (0.53) ALDH1A1KDM4ETSHRHPGDSMN1; SMN2
SCHEMBL31285917 0.73 ALDH1A1 (0.53) ALDH1A1KDM4ETSHRHPGDSMN1; SMN2
SCHEMBL6795932 0.73 ALDH1A1 (0.47) CTSVCTSLALDH1A1KDM4ETSHR

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 2111/4885ALDH1A1 3064/4885

“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.