SCHEMBL3528924

SCHEMBL3528924

Cn1c(C2CC2)c(Br)c(=O)n1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.46
HTR2C P28335 1/20 0.45
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP3A4 P08684 2/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK14 Q16539 1/20 0.38
CNR1 P21554 3/20 0.37
CNR2 P34972 3/20 0.37
MTOR P42345 1/20 0.36
NR3C1 P04150 1/20 0.36
ACHE P22303 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36

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
SCHEMBL3530896 0.84 HSD11B1 (0.53) HSD11B1HTR2CALDH1A1KDM4EMEN1
SCHEMBL5141184 0.80 HSD11B1 (0.52) HSD11B1HTR2CALDH1A1KDM4EMEN1
SCHEMBL7828945 0.77 LMNA (0.49) HSD11B1HTR2CALDH1A1KDM4EMEN1
SCHEMBL3526100 0.75 ALDH1A1 (0.44) HSD11B1ALDH1A1KDM4EMEN1LMNA
SCHEMBL3527546 0.73
SCHEMBL3533055 0.72 PDE4A (0.39) HSD11B1ALDH1A1KDM4EMEN1LMNA
SCHEMBL3532712 0.71 HSD11B1 (0.46) HSD11B1ALDH1A1KDM4EMAPT
SCHEMBL3530836 0.71 HSD11B1 (0.46) HSD11B1HTR2CMEN1LMNAMAPT
SCHEMBL3535544 0.71 HSD11B1 (0.56) HSD11B1ALDH1A1MEN1LMNAKMT2A
SCHEMBL3530097 0.71 CYP3A4 (0.43) HSD11B1HTR2CALDH1A1KDM4EMEN1

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 HSD11B1 1/4885HTR2C 1689/4885ALDH1A1 105/4885

“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.