SCHEMBL3530839

SCHEMBL3530839

O=C1CC(C2CC2)=NN1c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.57
KMT2A Q03164 6/20 0.57
MAPT P10636 6/20 0.57
MEN1 O00255 5/20 0.57
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
CYP1A2 P05177 1/20 0.57
CHRM2 P08172 1/20 0.57
CYP3A4 P08684 1/20 0.57
CHRM1 P11229 1/20 0.57
TSHR P16473 1/20 0.57
PTGS1 P23219 1/20 0.57
DRD3 P35462 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
POLB P06746 2/20 0.54
LOX P28300 2/20 0.53
SHMT2 P34897 1/20 0.53
APP P05067 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.44

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
SCHEMBL3531425 0.93 GAA (0.54) GAAKMT2AMAPTMEN1ALDH1A1
SCHEMBL3532077 0.84 KMT2A (0.64) GAAKMT2AMAPTMEN1ALDH1A1
SCHEMBL3531736 0.83 KMT2A (0.44) GAAKMT2AMAPTMEN1ALDH1A1
SCHEMBL3535982 0.82 KMT2A (0.47) GAAKMT2AMAPTMEN1ALDH1A1
SCHEMBL3537137 0.79 HCAR1 (0.41) GAAKMT2AMAPTMEN1ALDH1A1
SCHEMBL3529002 0.78 KMT2A (0.47) GAAKMT2AMAPTMEN1ALDH1A1
SCHEMBL3532127 0.78 MAPT (0.45) GAAKMT2AMAPTMEN1ALDH1A1
SCHEMBL7400667 0.77 GAA (0.62) GAAKMT2AMAPTMEN1ALDH1A1
SCHEMBL3529723 0.76 SHMT2 (0.43) GAAKMT2AMAPTMEN1ALDH1A1
SCHEMBL3529328 0.76 ALDH1A1 (0.60) GAAKMT2AMAPTMEN1ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113200993-A Synthesis method of oxindole spirodihydrofuran compound 浙江工业大学 2021-08-03 CN disclosed
CN-101243050-B Pyrazolone derivatives HOFFMANN LA ROCHE 2012-07-04 CN disclosed
US-7652057-B2 Pyrazolones as 11b-HSD1 inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
CN-101243050-A Pyrazolone derivatives HOFFMANN LA ROCHE (CH) 2008-08-13 CN disclosed
EP-1924562-A2 PYRAZOLONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025880-A2 PYRAZOLONE DERIVATIVES AS 11-BETA HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
US-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 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-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes HSD11B1, HSD17B1, HSD17B7 GAA 2764/4885KMT2A 4086/4885MAPT 3706/4885

“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.