SCHEMBL3529557

SCHEMBL3529557

Cc1ccccc1-n1c(=O)c(C2CC2)c(C2CC2)n1C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD11B1 P28845 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MGLL Q99685 1/20 0.37
CYP3A4 P08684 1/20 0.36
ALOX5 P09917 2/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33

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
SCHEMBL3527592 0.89 SMN1; SMN2 (0.37) MAPTMEN1KMT2AHSD11B1CYP3A4
SCHEMBL3525729 0.85 HSD11B1 (0.53) MAPTKMT2AHSD11B1MGLLCYP3A4
SCHEMBL3528469 0.84 HSD11B1 (0.45) MAPTMEN1KMT2AHSD11B1MGLL
SCHEMBL3531511 0.84 MAPT (0.40) MAPTMEN1KMT2AHSD11B1L3MBTL1
SCHEMBL3530751 0.84 LMNA (0.39) MAPTMEN1KMT2AHSD11B1MGLL
SCHEMBL3527177 0.82 ALDH1A1 (0.41) MAPTHSD11B1CYP3A4ALDH1A1HPGD
SCHEMBL3531286 0.81 DRD2 (0.39) HSD11B1CYP3A4SMN1; SMN2ALDH1A1TSHR
SCHEMBL3527102 0.81 HSD11B1 (0.57) MAPTMEN1KMT2AHSD11B1L3MBTL1
SCHEMBL3527381 0.80 HSD11B1 (0.50) MAPTMEN1KMT2AHSD11B1SMN1; SMN2
SCHEMBL3530031 0.80 PTPN11 (0.43) HSD11B1CYP3A4ALDH1A1

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 8 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 claimed
EP-1924562-A2 PYRAZOLONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP claimed
WO-2007025880-A2 PYRAZOLONE DERIVATIVES AS 11-BETA HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO claimed
US-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 US claimed
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 MAPT 3706/4885MEN1 1683/4885KMT2A 4086/4885

“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.