SCHEMBL6803474

SCHEMBL6803474

O=c1c2cc(F)c(N3CCCC3)nc2n(-c2ccc(C(F)(F)F)cc2)c(=O)n1OCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.36
KCNH2 Q12809 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CRHR1 P34998 3/20 0.34
MCHR1 Q99705 1/20 0.34
MAT2A P31153 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
PTGER1 P34995 1/20 0.33
CXCR3 P49682 2/20 0.33
TLR7 Q9NYK1 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL6798896 0.92 TSHR (0.38) ALDH1A1TSHRKDM4E
SCHEMBL6802921 0.91 ALDH1A1 (0.39) TRPV4KCNH2HRH3MAT2AALDH1A1
SCHEMBL6797293 0.90 L3MBTL1 (0.36) TRPV4KCNH2HRH3MAT2AALDH1A1
SCHEMBL6797050 0.88 ALDH1A1 (0.40) TRPV4KCNH2HRH3ALDH1A1TSHR
SCHEMBL6799493 0.85 PPARD (0.35) TRPV4CRHR1MAT2APPARDPPARA
SCHEMBL6801139 0.82 GRM5 (0.39) ALDH1A1TSHRL3MBTL1KDM4E
SCHEMBL6797814 0.81 ALDH1A1 (0.38) ALDH1A1TSHRL3MBTL1KDM4E
SCHEMBL6801066 0.80 LMNA (0.37) ALDH1A1TSHRL3MBTL1
SCHEMBL6801910 0.80 L3MBTL1 (0.37) ALDH1A1TSHRL3MBTL1
SCHEMBL6800342 0.80 TRPV4 (0.40) TRPV4KCNH2HRH3CRHR1MAT2A

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
EP-1028950-B1 7-SUBSTITUTED QUINAZOLIN-2,4-DIONES USEFUL AS ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 2003-05-02 EP claimed
US-20020115674-A1 Novel 7-substituted quinazolin-2,4-diones useful as antibacterial agents DOMAGALA JOHN MICHAEL (US) 2002-08-22 US claimed
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

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 TRPV4 2869/4885KCNH2 2104/4885HRH3 3651/4885

“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.