SCHEMBL6668993

SCHEMBL6668993

COc1c(N2CC3CCC(O)C3C2)c(F)c(N)c2c(=O)[nH]c(=O)n(C3CC3)c12

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
CACNA1D Q01668 1/20 0.33
KCNH2 Q12809 1/20 0.33
CACNA1S Q13698 1/20 0.33
CACNA1C Q13936 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL6671867 0.95 KDM4E (0.34) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL6669364 0.95 CACNA1F (0.33) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL6669953 0.91 KDM4E (0.33) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL6833238 0.91 KDM4E (0.33) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL6671598 0.90 CACNA1F (0.32) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL6674745 0.90 KDM4E (0.32) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL6668730 0.90 KDM4E (0.32) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL6648645 0.89 CACNA1F (0.33) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL7094204 0.88 CACNA1F (0.32) CACNA1FPOLBMAPK1CACNA1DKCNH2
SCHEMBL6668673 0.88 KDM4E (0.33) KDM4EMEN1ALDH1A1HPGDKMT2A

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 8 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
EP-1399432-A1 SPIROPIPERIDINE COMPOUNDS AS LIGANDS FOR ORL-1 RECEPTOR PFIZER INC. (US) 2004-03-24 EP disclosed
US-20030114666-A1 Having quinazolindione core structure; non-antibiotic resistance WARNER-LAMBERT COMPANY 2003-06-19 US disclosed
WO-2003000677-A1 SPIROPIPERIDINE COMPOUNDS AS LIGANDS FOR ORL-1 RECEPTOR PFIZER PHARMACEUTICALS INC. (JP) 2003-01-03 WO 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 CACNA1F 2279/4885POLB 3318/4885MAPK1 544/4885

“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.