SCHEMBL3531384

SCHEMBL3531384

Cn1c(C2CC2)cc(=O)n1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 2/20 0.57
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 2/20 0.39
BCHE P06276 1/20 0.39
PTGS2 P35354 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
HSD11B1 P28845 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
HTR7 P34969 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 1/20 0.37
THRB P10828 1/20 0.37
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 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
SCHEMBL3533603 0.94 NAPRT (0.54) NAPRTALDH1A1ALOX15BCHEPTGS2
SCHEMBL3529011 0.84 NAPRT (0.41) NAPRTALDH1A1ALOX15KDM4ETSHR
SCHEMBL3530770 0.84 NAPRT (0.39) NAPRTALDH1A1ALOX15GSK3AGSK3B
SCHEMBL3533567 0.83 FAAH (0.41) NAPRTALDH1A1KMT2AHTR7MAPT
SCHEMBL3533117 0.80 CYP17A1 (0.45) ALDH1A1KMT2AHTR7SMN1; SMN2CYP1A2
SCHEMBL3533770 0.80 MAPT (0.41) NAPRTALDH1A1KDM4ETSHRKMT2A
SCHEMBL3535467 0.80 MEN1 (0.41) NAPRTALDH1A1HSD11B1KMT2ASMN1; SMN2
SCHEMBL3532956 0.80 HSD11B1 (0.42) NAPRTALDH1A1HSD11B1KDM4EKMT2A
SCHEMBL3527587 0.76 MGLL (0.42) ALDH1A1KDM4ETSHRKMT2AHTR7
SCHEMBL3529348 0.76 MAPT (0.42) ALDH1A1GSK3AGSK3BKDM4ETSHR

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 NAPRT 2057/4885ALDH1A1 105/4885ALOX15 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.