SCHEMBL7093638

SCHEMBL7093638

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

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.39
CACNA1F O60840 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
CACNA1D Q01668 1/20 0.32
CACNA1S Q13698 1/20 0.32
CACNA1C Q13936 1/20 0.32
TOP1 P11387 2/20 0.32
TYMP P19971 1/20 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
SCHEMBL6672446 0.92 KCNH2 (0.45) KCNH2TOP1
SCHEMBL7093170 0.91 KCNH2 (0.38) KCNH2POLBTOP1TYMP
SCHEMBL6668975 0.90 KCNH2 (0.38) KCNH2POLBTOP1TYMP
SCHEMBL6669775 0.89 KCNH2 (0.33) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL6669192 0.88 KCNH2 (0.33) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL7093861 0.88 KCNH2 (0.35) KCNH2
SCHEMBL6669319 0.88 KCNH2 (0.32) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL6668519 0.87 KCNH2 (0.38) KCNH2POLBTOP1TYMP
SCHEMBL6644192 0.87 KCNH2 (0.33) KCNH2CACNA1FPOLBMAPK1CACNA1D
SCHEMBL6642661 0.87 TOP1 (0.34) KCNH2CACNA1FPOLBMAPK1CACNA1D

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 143/4885CACNA1F 2279/4885POLB 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.