SCHEMBL6670355

SCHEMBL6670355

COc1c(N2CCC(N)C2)c(F)c(O)c2c(=O)[nH]c(=O)n(C3CC3)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 2/20 0.36
ALDH1A1 P00352 4/20 0.35
POLB P06746 2/20 0.35
OPRM1 P35372 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
OPRD1 P41143 1/20 0.35
KCNH2 Q12809 4/20 0.34
PIM3 Q86V86 2/20 0.33
PIM1 P11309 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CSNK1G1 Q9HCP0 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PRKD3 O94806 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
CLK2 P49760 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL6670010 0.90 PIM3 (0.35) TOP1ALDH1A1POLBOPRM1CHRM2
SCHEMBL6642661 0.90 TOP1 (0.34) TOP1ALDH1A1POLBOPRM1CHRM2
SCHEMBL6668943 0.87 TOP1 (0.36) TOP1ALDH1A1POLBOPRM1CHRM2
SCHEMBL6647153 0.86 ALDH1A1 (0.40) ALDH1A1POLBOPRM1KCNH2NPSR1
SCHEMBL7093170 0.86 KCNH2 (0.38) TOP1ALDH1A1POLBOPRM1KCNH2
SCHEMBL6670377 0.85 KCNH2 (0.34) TOP1ALDH1A1POLBOPRM1CHRM2
SCHEMBL7096734 0.85 ALDH1A1 (0.34) ALDH1A1POLBOPRM1KCNH2NPSR1
SCHEMBL6669787 0.84 KCNH2 (0.37) KCNH2
SCHEMBL6668533 0.84 LMNA (0.39) ALDH1A1POLBNPSR1KDM4EHPGD
SCHEMBL6671489 0.81

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401830-A2 QUINAZOLINEDIONES AS ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2004-03-31 EP claimed
US-20030114666-A1 Having quinazolindione core structure; non-antibiotic resistance WARNER-LAMBERT COMPANY 2003-06-19 US claimed
WO-2002102793-A2 QUINAZOLINEDIONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2002-12-27 WO claimed
EP-1401830-A2 QUINAZOLINEDIONES AS ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2004-03-31 EP disclosed
US-20030114666-A1 Having quinazolindione core structure; non-antibiotic resistance WARNER-LAMBERT COMPANY 2003-06-19 US disclosed
WO-2002102793-A2 QUINAZOLINEDIONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2002-12-27 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-20030114666-A1 Having quinazolindione core structure; non-antibiotic resistance ABCC1, RPS6KA1, SIGMAR1 TOP1 4/4885ALDH1A1 781/4885POLB 3318/4885

“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.