SCHEMBL7093170

SCHEMBL7093170

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.38
TYMP P19971 1/20 0.32
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PRKD3 O94806 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
OPRM1 P35372 1/20 0.32
CLK2 P49760 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TOP1 P11387 2/20 0.31

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
SCHEMBL6668975 0.91 KCNH2 (0.38) KCNH2TYMPALDH1A1POLBKDM4E
SCHEMBL7093638 0.91 KCNH2 (0.39) KCNH2TYMPPOLBTOP1
SCHEMBL6668519 0.89 KCNH2 (0.38) KCNH2TYMPALDH1A1POLBKDM4E
SCHEMBL6670355 0.86 TOP1 (0.36) KCNH2ALDH1A1NPSR1POLBKDM4E
SCHEMBL6647996 0.86 KCNH2 (0.36) KCNH2TYMP
SCHEMBL7096734 0.85 ALDH1A1 (0.34) KCNH2ALDH1A1NPSR1POLBKDM4E
SCHEMBL6647153 0.85 ALDH1A1 (0.40) KCNH2ALDH1A1NPSR1POLBKDM4E
SCHEMBL6669787 0.83 KCNH2 (0.37) KCNH2
SCHEMBL6668533 0.82 LMNA (0.39) ALDH1A1NPSR1POLBKDM4EHPGD
SCHEMBL6672446 0.82 KCNH2 (0.45) KCNH2TOP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030114666-A1 Having quinazolindione core structure; non-antibiotic resistance WARNER-LAMBERT COMPANY 2003-06-19 US claimed
US-20030114666-A1 Having quinazolindione core structure; non-antibiotic resistance WARNER-LAMBERT COMPANY 2003-06-19 US 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 KCNH2 143/4885TYMP 3539/4885ALDH1A1 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.