SCHEMBL3533237

SCHEMBL3533237

O=C1CC(C2CC2)=NN1c1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MGLL Q99685 1/20 0.38
ALDH1A1 P00352 4/20 0.36
HCAR1 Q9BXC0 1/20 0.36
NOTUM Q6P988 1/20 0.35
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CHRM2 P08172 1/20 0.34
CYP3A4 P08684 1/20 0.34
CHRM1 P11229 1/20 0.34
TSHR P16473 1/20 0.34
PTGS1 P23219 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL3529900 0.84 HCAR1 (0.40) MEN1KMT2AALDH1A1HCAR1NOTUM
SCHEMBL3537137 0.83 HCAR1 (0.41) MEN1KMT2AMGLLALDH1A1HCAR1
SCHEMBL3534159 0.82 HTR7 (0.36) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL3531063 0.82 CNR2 (0.38) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL3532127 0.82 MAPT (0.45) MEN1KMT2AMGLLALDH1A1GAA
SCHEMBL3529246 0.81 ALDH1A1 (0.40) MEN1KMT2AALDH1A1HCAR1MAPT
SCHEMBL3529723 0.81 SHMT2 (0.43) MEN1KMT2AMGLLALDH1A1GAA
SCHEMBL3527797 0.79 SLC9A1 (0.40) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL3534430 0.78 GAA (0.43) MEN1KMT2AMGLLALDH1A1GAA
SCHEMBL3531484 0.78 HCAR1 (0.47) MGLLHCAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652057-B2 Pyrazolones as 11b-HSD1 inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US 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 MEN1 1683/4885KMT2A 4086/4885MGLL 2403/4885

“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.