SCHEMBL7097498

SCHEMBL7097498

COc1c(N2CCOCC2)c(F)c(N)c2c(=O)[nH]c(=O)n(C3CC3)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
TPH1 P17752 1/20 0.31
TPH2 Q8IWU9 1/20 0.31
TSHR P16473 2/20 0.31
HSD17B10 Q99714 2/20 0.31
CYP1A2 P05177 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 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
SCHEMBL6673258 0.91 EPHX2 (0.36) ALDH1A1KMT2AKCNH2EEF2K
SCHEMBL6668533 0.89 LMNA (0.39) MEN1ALDH1A1KMT2ALMNAHPGD
SCHEMBL6646292 0.89 ALDH1A1 (0.35) MEN1ALDH1A1KMT2ALMNAHPGD
SCHEMBL6673571 0.89 ALDH1A1 (0.32) ALDH1A1LMNAHPGDTPH1TPH2
SCHEMBL6673017 0.87 MEN1 (0.34) MEN1ALDH1A1KMT2ALMNAHPGD
SCHEMBL6642661 0.85 TOP1 (0.34) ALDH1A1HPGDHSD17B10KDM4ECHRM2
SCHEMBL6644192 0.83 KCNH2 (0.33) ALDH1A1HPGDHSD17B10KDM4EKCNH2
SCHEMBL6671831 0.82 MEN1 (0.35) MEN1ALDH1A1KMT2ARAB9ALMNA
SCHEMBL6672446 0.82 KCNH2 (0.45) KCNH2
SCHEMBL6669323 0.82 KCNH2 (0.34) ALDH1A1HPGDHSD17B10KDM4EKCNH2

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 MEN1 1257/4885ALDH1A1 781/4885KMT2A 3440/4885

“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.