SCHEMBL6802525

SCHEMBL6802525

CCn1c(=O)n(OCc2ccccc2)c(=O)c2cc(F)c(N3CCNCC3)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
LMNA P02545 4/20 0.46
KDM4E B2RXH2 4/20 0.46
HPGD P15428 4/20 0.46
HSD17B10 Q99714 3/20 0.46
TSHR P16473 2/20 0.46
BRD4 O60885 1/20 0.46
HTT P42858 1/20 0.46
CYP2J2 P51589 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
OPRL1 P41146 2/20 0.41
HTR1A P08908 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HTR6 P50406 2/20 0.39
TOP1 P11387 1/20 0.38
THRB P10828 2/20 0.38
CYP1A2 P05177 1/20 0.38
TOP2A P11388 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
SCHEMBL6799416 0.91 THRB (0.46) ALDH1A1LMNATSHRTOP1THRB
SCHEMBL6796406 0.90 ALDH1A1 (0.47) ALDH1A1LMNAKDM4EHPGDTSHR
SCHEMBL6797737 0.89 THRB (0.45) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL6797135 0.84 ALDH1A1 (0.48) ALDH1A1KDM4ETSHRNPSR1KMT2A
SCHEMBL6800898 0.82 TOP1 (0.41) ALDH1A1LMNATOP1THRBKMT2A
SCHEMBL6802031 0.80 TOP1 (0.44) LMNATOP1THRB
SCHEMBL6806695 0.78 LMNA (0.53) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL6801037 0.77 THRB (0.41) ALDH1A1LMNATSHRTOP1THRB
SCHEMBL6799741 0.77 THRB (0.41) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL6807024 0.76 ALDH1A1 (0.43) ALDH1A1LMNAKDM4EHPGDTSHR

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 12 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
US-20040063699-A1 Gpr14 antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
EP-1310490-A1 GPR14 ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2003-05-14 EP 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 (2 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 3064/4885LMNA 3642/4885KDM4E 2528/4885
US-20040063699-A1 Gpr14 antagonist GPR142, GPR139, GPR4 ALDH1A1 2561/4885LMNA 4037/4885KDM4E 2148/4885

“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.