SCHEMBL3534430

SCHEMBL3534430

COc1ccccc1N1N=C(C2CC2)CC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
CASP3 P42574 1/20 0.43
CASP6 P55212 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
MGLL Q99685 1/20 0.42
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 3/20 0.39
HTR7 P34969 2/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
POLB P06746 1/20 0.39
ATM Q13315 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
SCHEMBL15569202 0.85 CACNA1B (0.49) GAACASP3CASP6SENP8SENP7
SCHEMBL3531484 0.83 HCAR1 (0.47) MGLL
SCHEMBL3532127 0.81 MAPT (0.45) GAACASP3CASP6SENP8SENP7
SCHEMBL3529723 0.80 SHMT2 (0.43) GAAMGLLKMT2AMEN1ALDH1A1
SCHEMBL4661873 0.80 MAPT (0.57) GAACASP3CASP6SENP8SENP7
SCHEMBL3537137 0.80 HCAR1 (0.41) GAACASP6MGLLPDCD1CD274
SCHEMBL3533237 0.78 MEN1 (0.45) GAAMGLLKMT2AMEN1ALDH1A1
SCHEMBL3529137 0.77 DRD2 (0.37) GAACASP6PDCD1CD274KMT2A
SCHEMBL3527797 0.76 SLC9A1 (0.40) GAAKMT2AMEN1ALDH1A1HTR7
SCHEMBL3529246 0.75 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1POLBMAPT

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 GAA 2764/4885CASP3 1684/4885CASP6 2629/4885

“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.