SCHEMBL6669337

SCHEMBL6669337

Cc1c(F)c(N2CCC(CO)C2)c(C)c2c1c(=O)[nH]c(=O)n2C1CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYMP P19971 3/20 0.37
KCNH2 Q12809 6/20 0.34
SCN5A Q14524 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TPH1 P17752 1/20 0.30
TPH2 Q8IWU9 1/20 0.30
MEN1 O00255 1/20 0.30
ALOX15 P16050 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6670927 0.90 KCNH2 (0.36) KCNH2SCN5A
SCHEMBL6668975 0.89 KCNH2 (0.38) TYMPKCNH2ALDH1A1ALOX15
SCHEMBL6647996 0.89 KCNH2 (0.36) TYMPKCNH2TPH1TPH2
SCHEMBL6671058 0.87 KCNH2 (0.33) KCNH2SCN5A
SCHEMBL6668343 0.87 KCNH2 (0.33) TYMPKCNH2SCN5A
SCHEMBL6670991 0.86 KCNH2 (0.34) TYMPKCNH2SCN5A
SCHEMBL7096841 0.85 KCNH2 (0.35) KCNH2SCN5A
SCHEMBL6673140 0.85 KCNH2 (0.35) KCNH2SCN5A
SCHEMBL6670133 0.85 PIM3 (0.38) KCNH2SCN5AALDH1A1
SCHEMBL6668094 0.83 KCNH2 (0.34) KCNH2SCN5A

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 TYMP 3539/4885KCNH2 143/4885SCN5A 309/4885

“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.