SCHEMBL6800501

SCHEMBL6800501

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.55
TDO2 P48775 5/20 0.55
CTSV O60911 3/20 0.52
CTSL P07711 3/20 0.52
XDH P47989 1/20 0.50
SLC22A12 Q96S37 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SLC2A1 P11166 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
EGFR P00533 1/20 0.47
TSHR P16473 1/20 0.47
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
KDM4E B2RXH2 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
SCHEMBL6801722 0.81 CTSV (0.60) CTSVCTSLXDHSLC22A12MEN1
SCHEMBL6800703 0.80 CTSV (0.63) CTSVCTSLMEN1KMT2AMAPT
SCHEMBL6797381 0.77 NPC1 (0.56) IDO1TDO2CTSVCTSLNPC1
SCHEMBL6801430 0.77 MPO (0.57) CTSVCTSLNPC1RAB9AMEN1
SCHEMBL1415416 0.75 AKR1C3 (0.67) XDHSLC22A12RAB9AMEN1KMT2A
SCHEMBL7520986 0.75 XDH (0.52) XDHSLC22A12NPC1RAB9AMEN1
SCHEMBL6801411 0.75 AKR1C3 (0.71) CTSVCTSLMEN1KMT2ALMNA
SCHEMBL28741309 0.74 MPO (0.60) CTSVCTSLMEN1KMT2ALMNA
Fluoride SCHEMBL11790915 0.74 SLC2A1 (0.67) NPC1RAB9ASLC2A1MEN1KMT2A
SCHEMBL28741354 0.74 MPO (0.56) IDO1TDO2MEN1KMT2ALMNA

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 IDO1 826/4885TDO2 585/4885CTSV 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.