SCHEMBL6747003

SCHEMBL6747003

COc1ccc(COC(=O)c2ccc3c(c2)SC(Cc2ccco2)C(=O)N3C)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.42
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
POLB P06746 2/20 0.38

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
SCHEMBL6744187 0.86 GFER (0.47) TP53MAPTLMNAKDM4EUSP2
SCHEMBL8345252 0.70 SMN1; SMN2 (0.52) MAPTLMNAL3MBTL1NPC1ALDH1A1
SCHEMBL5745194 0.68 MCL1 (0.50) ALDH1A1
SCHEMBL16491948 0.66 PPARG (0.59) TP53MAPTKDM4ETDP1ALDH1A1
SCHEMBL5334332 0.66 MMP9 (0.59) TP53MAPTLMNAKDM4ETDP1
SCHEMBL16689961 0.65 KMT2A (0.67) MAPTLMNAKDM4ETDP1NPC1
SCHEMBL6750671 0.65 THRB (0.45) TP53MAPTKDM4EALDH1A1ADORA2A
SCHEMBL5746254 0.64 PPARG (0.45) ALDH1A1
SCHEMBL1278792 0.64 TAS2R14 (0.78) MAPTLMNAALDH1A1
SCHEMBL16689955 0.64 SMPD1 (0.59) MAPTTDP1NPC1ALDH1A1POLB

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-20040043984-A1 3,4-Dihydroquinolin-2-one, 5,6-fused oxazin-3-one, and 5,6-fused thiazin-3-one derivatives as matrix metalloproteinase inhibitors O'BRIEN PATRICK MICHAEL (US) 2004-03-04 US disclosed
WO-2004014389-A1 3,4-DIHYDROQUINOLIN-2-ONE, 5,6-FUSED OXAZIN-3-ONE, AND 5,6-FUSED THIAZIN-3-ONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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-20040043984-A1 3,4-Dihydroquinolin-2-one, 5,6-fused oxazin-3-one, and 5,6-fused thiazin-3-one derivatives as matrix metalloproteinase inhibitors MMP13, MMP9, MMP3 TP53 3965/4885MAPT 1797/4885LMNA 2399/4885

“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.