SCHEMBL6745728

SCHEMBL6745728

CN1C(=O)C(Cc2ccccc2)Oc2cc(C(=O)OCc3ccccc3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.54
F10 P00742 10/20 0.54
ITGB3 P05106 4/20 0.47
ITGA2B P08514 4/20 0.47
LMNA P02545 2/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FOLH1 Q04609 3/20 0.44
SRD5A1 P18405 1/20 0.43
SRD5A2 P31213 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL6744482 0.75 F2 (0.52) F2F10ITGB3ITGA2B
SCHEMBL6475679 0.71 PABPC1 (0.46) F2F10ITGB3ITGA2BLMNA
SCHEMBL31444744 0.71 ATM (0.45) F2F10NPC1ALDH1A1MAPT
SCHEMBL6745725 0.71 F2 (0.46) F2F10ITGB3ITGA2B
SCHEMBL7927907 0.71 SRD5A1 (0.55) LMNANPC1ALDH1A1MAPTRAB9A
SCHEMBL8127159 0.69 MAPT (0.48) LMNANPC1ALDH1A1MAPTRAB9A
SCHEMBL24428006 0.68 P2RX4 (0.54) LMNANPC1ALDH1A1MAPTRAB9A
SCHEMBL312287 0.67 KMT2A (0.92) LMNANPC1ALDH1A1MAPTRAB9A
SCHEMBL8127158 0.67 SRD5A1 (0.48) LMNANPC1ALDH1A1MAPTRAB9A
SCHEMBL11028044 0.67 LMNA (0.47) LMNANPC1ALDH1A1MAPTRAB9A

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 F2 357/4885F10 673/4885ITGB3 466/4885

“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.