SCHEMBL3533226

SCHEMBL3533226

Cn1c(C2CC2)c(Br)c(=O)n1-c1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
HSD17B10 Q99714 2/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
SLC9A1 P19634 1/20 0.38
SLC9A2 Q9UBY0 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.37
MAOB P27338 1/20 0.36
ELANE P08246 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
DRD2 P14416 1/20 0.34

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
SCHEMBL3527177 0.85 ALDH1A1 (0.41) ALDH1A1MAPTHSD17B10PKMHPGD
SCHEMBL3532712 0.82 HSD11B1 (0.46) ALDH1A1MAPTKDM4E
SCHEMBL3531511 0.82 MAPT (0.40) ALDH1A1MAPTHPGD
SCHEMBL3533424 0.81 LMNA (0.38) MAPTHTR2AHTR2CDRD2
SCHEMBL3532708 0.81 HSD11B1 (0.39) MAPT
SCHEMBL3532434 0.80 SMN1; SMN2 (0.37) ALDH1A1MAPTHTTPOLB
SCHEMBL3535108 0.80 DRD2 (0.40) ALDH1A1HTR2ADRD2SLC6A4
SCHEMBL3525886 0.78 DRD2 (0.41) ALDH1A1HTTHTR2AHTR2CCREBBP
SCHEMBL3531172 0.78 HSD11B1 (0.50) ALDH1A1MAPTKDM4EHTTPOLB
SCHEMBL3526100 0.77 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EHTTPOLB

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 105/4885MAPT 3706/4885HSD17B10 27/4885

“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.