SCHEMBL6797050

SCHEMBL6797050

COc1ccc(-n2c(=O)n(OCc3ccccc3)c(=O)c3cc(F)c(N4CCCC4)nc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.38
USP2 O75604 5/20 0.38
CYP3A4 P08684 5/20 0.38
CYP1A2 P05177 4/20 0.38
HSD17B10 Q99714 4/20 0.38
HPGD P15428 1/20 0.38
HIF1A Q16665 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2C19 P33261 3/20 0.37
LMNA P02545 1/20 0.37
TRPV4 Q9HBA0 2/20 0.37
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CYP2C9 P11712 2/20 0.36
TSHR P16473 2/20 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
SCHEMBL6797293 0.91 L3MBTL1 (0.36) ALDH1A1MAPTLMNATRPV4KCNH2
SCHEMBL6802921 0.91 ALDH1A1 (0.39) ALDH1A1MAPTMAPK1GAACYP3A4
SCHEMBL6803474 0.88 TRPV4 (0.36) ALDH1A1TRPV4KCNH2HRH3TSHR
SCHEMBL6797355 0.85 ALDH1A1 (0.43) ALDH1A1MAPTMAPK1TDP1USP2
SCHEMBL6798896 0.83 TSHR (0.38) ALDH1A1MAPTCYP1A2HSD17B10HPGD
SCHEMBL6795485 0.82 ALDH1A1 (0.40) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL6801139 0.82 GRM5 (0.39) ALDH1A1MAPTHSD17B10HPGDKMT2A
SCHEMBL6801066 0.82 LMNA (0.37) ALDH1A1TDP1HPGDLMNACYP2C9
SCHEMBL6797814 0.81 ALDH1A1 (0.38) ALDH1A1MAPTCYP3A4CYP1A2HSD17B10
SCHEMBL6796967 0.81 TRPV4 (0.41) ALDH1A1MAPTMAPK1TDP1GAA

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 7 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-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 ALDH1A1 3064/4885MAPT 3674/4885MAPK1 1991/4885

“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.