SCHEMBL3529348

SCHEMBL3529348

Cn1c(C2CC2)cc(=O)n1-c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
HSD17B10 Q99714 3/20 0.42
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
POLB P06746 1/20 0.39
ELANE P08246 1/20 0.38
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
DRD2 P14416 1/20 0.35
SLC6A4 P31645 1/20 0.35
DDAH1 O94760 1/20 0.35
SLC9A1 P19634 1/20 0.35
SLC9A2 Q9UBY0 1/20 0.35
HTR1A P08908 2/20 0.35
HTR7 P34969 2/20 0.35

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
SCHEMBL3532956 0.81 HSD11B1 (0.42) MAPTHSD17B10ALDH1A1KDM4EHTT
SCHEMBL3535467 0.81 MEN1 (0.41) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL3533770 0.81 MAPT (0.41) MAPTALDH1A1HPGDPOLBELANE
SCHEMBL3537437 0.80 LMNA (0.40) MAPTALDH1A1HTTDRD2HTR1A
SCHEMBL3527309 0.79 NPSR1 (0.36) MAPTHSD17B10ALDH1A1POLBKDM4E
SCHEMBL3529498 0.79 DRD2 (0.42) DRD2
SCHEMBL3527587 0.78 MGLL (0.42) MAPTALDH1A1HPGDPOLBKDM4E
SCHEMBL3533292 0.77 HSD11B1 (0.46) MAPTALDH1A1KDM4EHTTHTR1A
SCHEMBL3535423 0.77 DRD2 (0.40) ALDH1A1HTTCREBBPDRD2TSHR
SCHEMBL11619799 0.77 GSK3A (0.43) MAPTHSD17B10ALDH1A1PKMHPGD

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 MAPT 3706/4885HSD17B10 27/4885ALDH1A1 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.