SCHEMBL6669749

SCHEMBL6669749

COc1c(N2CC[C@H](N)C2)c(F)cc2c(=O)[nH]c(=O)n(C3CC3)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 2/20 0.46
KCNH2 Q12809 3/20 0.45
ALDH1A1 P00352 2/20 0.44
POLB P06746 2/20 0.44
OPRM1 P35372 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
OPRD1 P41143 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PRKD3 O94806 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
CLK2 P49760 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PIM1 P11309 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
PIM3 Q86V86 1/20 0.41

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
SCHEMBL6671608 1.00 TOP1 (0.46) TOP1KCNH2ALDH1A1POLBOPRM1
SCHEMBL6647359 0.94 ALDH1A1 (0.42) TOP1KCNH2ALDH1A1POLBOPRM1
SCHEMBL6670392 0.87 KCNH2 (0.43) TOP1KCNH2ALDH1A1POLBOPRM1
SCHEMBL6649151 0.87 KCNH2 (0.59) TOP1KCNH2
SCHEMBL6670298 0.87 KCNH2 (0.43) TOP1KCNH2ALDH1A1POLBOPRM1
SCHEMBL7097216 0.87 KCNH2 (0.43) TOP1KCNH2ALDH1A1POLBOPRM1
SCHEMBL6670700 0.87 KCNH2 (0.47) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL6670694 0.87 KCNH2 (0.47) KCNH2ALDH1A1POLBOPRM1CHRM2
SCHEMBL7092967 0.86 KCNH2 (0.42) TOP1KCNH2ALDH1A1POLBOPRM1
SCHEMBL6669998 0.85 KCNH2 (0.51) TOP1KCNH2ALDH1A1POLBOPRM1

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 4/4885KCNH2 143/4885ALDH1A1 781/4885

“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.