SCHEMBL3531401

SCHEMBL3531401

COc1ccccc1-n1c(=O)c(Br)c(C2CC2)n1C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.40
METAP2 P50579 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
ADRA1D P25100 2/20 0.37
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 0.37
HTR1A P08908 1/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 2/20 0.37
ATM Q13315 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL3529732 0.85 MGLL (0.41) MGLLMETAP2MEN1KMT2ADRD2
SCHEMBL3529329 0.85 HCAR1 (0.42)
SCHEMBL3531511 0.82 MAPT (0.40) MGLLMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3532712 0.82 HSD11B1 (0.46) MGLLADRA1DADRA1AADRA1BALDH1A1
SCHEMBL3532708 0.81 HSD11B1 (0.39) MGLLMEN1KMT2A
SCHEMBL3533424 0.81 LMNA (0.38) MGLLMEN1KMT2ADRD2DRD3
SCHEMBL3533226 0.79 ALDH1A1 (0.40) DRD2ALDH1A1POLBKDM4E
SCHEMBL3525886 0.78 DRD2 (0.41) DRD2ADRA1DADRA1AADRA1BALDH1A1
SCHEMBL3531172 0.78 HSD11B1 (0.50) MEN1KMT2AALDH1A1POLBKDM4E
SCHEMBL3526100 0.77 ALDH1A1 (0.44) MEN1KMT2ATSHRALDH1A1POLB

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 MGLL 2403/4885METAP2 4288/4885MEN1 1683/4885

“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.