SCHEMBL3533424

SCHEMBL3533424

CCc1ccccc1-n1c(=O)c(Br)c(C2CC2)n1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.38
TSHR P16473 1/20 0.38
MGLL Q99685 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
ALOX5 P09917 1/20 0.34
TP53 P04637 1/20 0.33
HSD11B1 P28845 1/20 0.33
P2RX7 Q99572 1/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL3532712 0.84 HSD11B1 (0.46) MGLLMAPTALOX5HSD11B1GAA
SCHEMBL3531511 0.84 MAPT (0.40) LMNAMGLLMEN1MAPTKMT2A
SCHEMBL3530751 0.84 LMNA (0.39) LMNATSHRMGLLMEN1MAPT
SCHEMBL3532708 0.83 HSD11B1 (0.39) MGLLMEN1MAPTKMT2AHSD11B1
SCHEMBL3531401 0.81 MGLL (0.40) TSHRMGLLMEN1KMT2AHTR1A
SCHEMBL3533226 0.81 ALDH1A1 (0.40) MAPTDRD2HTR2AHTR2C
SCHEMBL3531172 0.80 HSD11B1 (0.50) MEN1MAPTKMT2AHSD11B1P2RX7
SCHEMBL3525886 0.80 DRD2 (0.41) LMNATP53HSD11B1DRD2HTR2A
SCHEMBL3526100 0.80 ALDH1A1 (0.44) LMNATSHRMEN1MAPTKMT2A
SCHEMBL3532434 0.80 SMN1; SMN2 (0.37) LMNATSHRMEN1MAPTKMT2A

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 LMNA 3846/4885TSHR 1762/4885MGLL 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.