SCHEMBL3529533

SCHEMBL3529533

Cc1cc(=O)n(C)n1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.51
KMT2A Q03164 3/20 0.49
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
ELANE P08246 2/20 0.42
F2 P00734 1/20 0.42
PLG P00747 1/20 0.42
CTSG P08311 1/20 0.42
CMA1 P23946 1/20 0.42
CTRC Q99895 1/20 0.42
HTR2C P28335 1/20 0.42
ATM Q13315 1/20 0.42
NOTUM Q6P988 1/20 0.41

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
SCHEMBL5421935 0.83 NAPRT (0.57) NAPRTKMT2AMAPTMEN1ALDH1A1
SCHEMBL21394725 0.80 MAPT (0.51) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL5482874 0.79 NAPRT (0.49) NAPRTKMT2AMAPTMEN1ALDH1A1
SCHEMBL3530393 0.72 NAPRT (0.72) NAPRTKMT2AMEN1ALDH1A1LMNA
SCHEMBL7835720 0.71 KMT2A (0.69) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL13562506 0.71 MEN1 (0.55) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL3530097 0.69 CYP3A4 (0.43) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL7828945 0.69 LMNA (0.49) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL17264297 0.69 BCHE (0.54) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL4341101 0.69 NAPRT (0.62) NAPRTKMT2AMEN1ALDH1A1LMNA

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 2057/4885KMT2A 4086/4885MAPT 3706/4885

“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.