SCHEMBL6795932

SCHEMBL6795932

Cn1c(=O)n(OCc2ccccc2)c(=O)c2cc(F)c(F)cc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
TSHR P16473 2/20 0.47
ALOX15 P16050 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HBB P68871 1/20 0.41
MAOB P27338 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PKM P14618 1/20 0.39
MAOA P21397 1/20 0.39
CTSV O60911 2/20 0.37
CTSL P07711 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GRM4 Q14833 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL6797135 0.85 ALDH1A1 (0.48) ALDH1A1TSHRALOX15KDM4EHBB
SCHEMBL6803465 0.85 ALDH1A1 (0.42) ALDH1A1TSHRALOX15KDM4EHBB
SCHEMBL6800550 0.82 ALDH1A1 (0.42) ALDH1A1TSHRALOX15KDM4EHBB
SCHEMBL6798162 0.81 ALDH1A1 (0.41) ALDH1A1TSHRALOX15KDM4EHBB
SCHEMBL6807147 0.81 ALDH1A1 (0.41) ALDH1A1TSHRALOX15KDM4EHBB
SCHEMBL6801065 0.81 ALDH1A1 (0.41) ALDH1A1TSHRALOX15KDM4EHBB
SCHEMBL6801350 0.80 ALDH1A1 (0.40) ALDH1A1TSHRALOX15KDM4EHBB
SCHEMBL6796203 0.80 ALDH1A1 (0.40) ALDH1A1TSHRALOX15KDM4EHBB
SCHEMBL6799569 0.79 GLA (0.41) ALDH1A1TSHRALOX15KDM4EHBB
SCHEMBL6802703 0.79 ALDH1A1 (0.41) ALDH1A1TSHRALOX15KDM4EL3MBTL1

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 11 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-20040063720-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2004-04-01 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 (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 3064/4885TSHR 4720/4885ALOX15 4414/4885
US-20040063720-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 ALDH1A1 3104/4885TSHR 1987/4885ALOX15 1869/4885

“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.