SCHEMBL6750671

SCHEMBL6750671

COc1cccc(COC(=O)c2cnc3c(c2)SC(Cc2ccccc2)C(=O)N3C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
MMP1 P03956 2/20 0.41
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
MMP12 P39900 2/20 0.41
FFAR1 O14842 1/20 0.40
MPC2 O95563 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2C9 P11712 1/20 0.40
PPARG P37231 1/20 0.40
TP53 P04637 1/20 0.40
VNN1 O95497 1/20 0.39

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
SCHEMBL6743591 0.85 PRKACA (0.49) KDM4EALDH1A1MAPTMAOACYP2C9
SCHEMBL1421428 0.69 KMT2A (0.65) THRBKDM4EALDH1A1MAOBMMP1
SCHEMBL6919620 0.68 MAPT (0.43) KDM4EALDH1A1MAPTMAOBCYP2C9
SCHEMBL5334298 0.67 MMP1 (0.63) THRBKDM4EALDH1A1MAPTMAOA
SCHEMBL15014006 0.67 MMP1 (0.56) THRBKDM4EALDH1A1MAPTMAOA
SCHEMBL19886270 0.66 KMT2A (0.60) THRBKDM4EALDH1A1MAPTCYP2C9
SCHEMBL27663583 0.64 MMP1 (0.59) THRBKDM4EALDH1A1MAPTMAOA
SCHEMBL28209670 0.64 KMT2A (0.64) KDM4EALDH1A1MAPTMAOBMEN1
SCHEMBL20472246 0.64 MAOB (0.54) THRBALDH1A1MAOAMAOBMMP1
SCHEMBL13625640 0.64 PRKCA (0.64) THRBKDM4EALDH1A1MAPTMAOA

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 THRB 3700/4885KDM4E 1367/4885ALDH1A1 675/4885

“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.