SCHEMBL6795485

SCHEMBL6795485

COc1ccc(-n2c(=O)n(OCc3ccccc3)c(=O)c3cc(F)c(N4CCCC4)cc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
THRB P10828 4/20 0.39
HTR7 P34969 4/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
PIK3CA P42336 1/20 0.38
PRKDC P78527 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL6802535 0.93 TRPV4 (0.42) ALDH1A1GAATHRBHTR7LMNA
SCHEMBL6798114 0.92 GNRHR (0.42) GAATHRBHTR7LMNATP53
SCHEMBL6800538 0.91 THRB (0.41) ALDH1A1GAATHRBLMNARXFP1
SCHEMBL6797472 0.90 THRB (0.39) ALDH1A1GAATHRBLMNARXFP1
SCHEMBL6801037 0.86 THRB (0.41) ALDH1A1GAATHRBLMNATP53
SCHEMBL6800733 0.85 THRB (0.46) ALDH1A1GAATHRBLMNATP53
SCHEMBL6800773 0.85 HTR7 (0.44) ALDH1A1GAAHTR7LMNAPIK3CA
SCHEMBL6800569 0.85 MEN1 (0.47) ALDH1A1THRBLMNAMEN1KMT2A
SCHEMBL6799753 0.83 GRM5 (0.44) GAATHRBLMNARXFP1
SCHEMBL6802963 0.83 PIM1 (0.40) PIK3CAMEN1KMT2A

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 8 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
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 3064/4885GAA 1090/4885THRB 4777/4885

“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.