SCHEMBL3526100

SCHEMBL3526100

Cn1c(C2CC2)c(Br)c(=O)n1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
BCHE P06276 3/20 0.44
ALOX15 P16050 2/20 0.44
PTGS2 P35354 1/20 0.44
HSD11B1 P28845 2/20 0.43
LMNA P02545 2/20 0.43
ADORA3 P0DMS8 1/20 0.43
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
THRB P10828 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 2/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
G6PD P11413 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL3528198 0.94 SMN1; SMN2 (0.43) ALDH1A1BCHEALOX15PTGS2HSD11B1
SCHEMBL3527822 0.85 MEN1 (0.37) ALDH1A1HSD11B1TSHRKMT2AMEN1
SCHEMBL3535479 0.84 BCHE (0.39) ALDH1A1BCHEHSD11B1SMN1; SMN2KMT2A
SCHEMBL3528519 0.83 HTR7 (0.39) ALDH1A1HSD11B1TSHRKMT2AMEN1
SCHEMBL3527381 0.83 HSD11B1 (0.50) ALDH1A1BCHEALOX15PTGS2HSD11B1
SCHEMBL3532712 0.81 HSD11B1 (0.46) ALDH1A1HSD11B1SMN1; SMN2MAPTKDM4E
SCHEMBL3531511 0.81 MAPT (0.40) ALDH1A1HSD11B1LMNASMN1; SMN2KMT2A
SCHEMBL3531196 0.80 ALDH1A1 (0.44) ALDH1A1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL3532708 0.80 HSD11B1 (0.39) HSD11B1KMT2AMEN1MAPT
SCHEMBL3533424 0.80 LMNA (0.38) BCHEHSD11B1LMNATSHRKMT2A

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 ALDH1A1 105/4885BCHE 3245/4885ALOX15 743/4885

“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.