SCHEMBL6797229

SCHEMBL6797229

COc1ccc(-n2c(=O)n(OCc3ccccc3)c(=O)c3cc(F)c(F)cc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.43
ALDH1A1 P00352 3/20 0.43
PIK3CA P42336 1/20 0.42
PRKDC P78527 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
MAPK8 P45983 1/20 0.40
TSHR P16473 1/20 0.40
RGS4 P49798 1/20 0.38
RGS8 P57771 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR7 P34969 1/20 0.38

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
SCHEMBL6799704 0.91 GNRHR (0.44) TP53MAPTLMNAMAPK8HTR7
SCHEMBL6801065 0.89 ALDH1A1 (0.41) ALDH1A1MAPTMAPK8TSHRMEN1
SCHEMBL6796203 0.88 ALDH1A1 (0.40) ALDH1A1LMNAMAPK8TSHRMEN1
SCHEMBL6795485 0.88 ALDH1A1 (0.40) TP53ALDH1A1PIK3CAPRKDCRXFP1
SCHEMBL6802535 0.86 TRPV4 (0.42) ALDH1A1PIK3CAPRKDCLMNATHRB
SCHEMBL6801629 0.83 MAPT (0.41) TP53ALDH1A1RXFP1MAPTTHRB
SCHEMBL6802703 0.83 ALDH1A1 (0.41) ALDH1A1MAPTMAPK8TSHRL3MBTL1
SCHEMBL6797355 0.82 ALDH1A1 (0.43) TP53ALDH1A1RXFP1MAPTLMNA
SCHEMBL6800550 0.82 ALDH1A1 (0.42) TP53ALDH1A1MAPTTSHRMEN1
SCHEMBL6798162 0.81 ALDH1A1 (0.41) TP53ALDH1A1MAPTMAPK8TSHR

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 10 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
EP-1028950-A1 NOVEL 7-SUBSTITUTED QUINAZOLIN-2,4-DIONES USEFUL AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2000-08-23 EP claimed
WO-1999021840-A1 NOVEL 7-SUBSTITUTED QUINAZOLIN-2,4-DIONES USEFUL AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1999-05-06 WO 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 TP53 3249/4885ALDH1A1 3064/4885PIK3CA 359/4885

“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.