SCHEMBL3527592

SCHEMBL3527592

Cc1cccc(-n2c(=O)c(C3CC3)c(C3CC3)n2C)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 3/20 0.35
MAPT P10636 3/20 0.35
TSHR P16473 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD11B1 P28845 2/20 0.35
ADRB1 P08588 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.34
TP53 P04637 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
RAB9A P51151 1/20 0.33
CYP3A4 P08684 1/20 0.33
THRB P10828 1/20 0.33
PMM2 O15305 1/20 0.33
MPI P34949 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
SCHEMBL3529557 0.89 MAPT (0.41) SMN1; SMN2MAPTTSHRMEN1KMT2A
SCHEMBL3532434 0.85 SMN1; SMN2 (0.37) SMN1; SMN2NPSR1MAPTTSHRMEN1
SCHEMBL3530031 0.81 PTPN11 (0.43) HSD11B1ADRB1ALDH1A1OPRL1CYP3A4
SCHEMBL3525729 0.80 HSD11B1 (0.53) SMN1; SMN2MAPTKMT2AHSD11B1ALDH1A1
SCHEMBL3527177 0.80 ALDH1A1 (0.41) MAPTHSD11B1ALDH1A1MAPK1POLB
SCHEMBL3530751 0.79 LMNA (0.39) MAPTTSHRMEN1KMT2AHSD11B1
SCHEMBL3528469 0.79 HSD11B1 (0.45) SMN1; SMN2MAPTMEN1KMT2AHSD11B1
SCHEMBL3531286 0.76 DRD2 (0.39) SMN1; SMN2TSHRHSD11B1ALDH1A1TP53
SCHEMBL3527102 0.76 HSD11B1 (0.57) MAPTMEN1KMT2AHSD11B1ALDH1A1
SCHEMBL3528906 0.76 HSD11B1 (0.41) KMT2AHSD11B1OPRL1CYP3A4

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 SMN1; SMN2 3945/4885NPSR1 1791/4885MAPT 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.