SCHEMBL3530836

SCHEMBL3530836

O=c1c(Br)c(C2CC2)n(Cc2ccccc2)n1-c1cc(F)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.46
CYP3A4 P08684 1/20 0.46
SIGMAR1 Q99720 3/20 0.38
CHRM4 P08173 2/20 0.38
DPP4 P27487 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
EGFR P00533 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
P2RX7 Q99572 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 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
SCHEMBL3535544 0.91 HSD11B1 (0.56) HSD11B1CYP3A4SIGMAR1CHRM4MEN1
SCHEMBL3526953 0.89 HSD11B1 (0.51) HSD11B1CYP3A4SIGMAR1CHRM4DPP4
SCHEMBL3535154 0.85 MAPK14 (0.39) SMN1; SMN2P2RX7HTR2AHTR2C
SCHEMBL3535746 0.84 HSD11B1 (0.48) HSD11B1CYP3A4MEN1KMT2ASMN1; SMN2
SCHEMBL3531778 0.80 HSD11B1 (0.44) HSD11B1CYP3A4SIGMAR1CHRM4DPP4
SCHEMBL3531568 0.80 HSD11B1 (0.61) HSD11B1CYP3A4SIGMAR1CHRM4CYP2C9
SCHEMBL3530690 0.79 HSD11B1 (0.43) HSD11B1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL3533829 0.78 L3MBTL1 (0.34) HSD11B1P2RX7L3MBTL1DRD2
SCHEMBL3533055 0.78 PDE4A (0.39) HSD11B1CYP3A4SIGMAR1CYP2C9CYP2C19
SCHEMBL3530595 0.75 HSD11B1 (0.41) HSD11B1CYP3A4MEN1KMT2ASMN1; SMN2

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 HSD11B1 1/4885CYP3A4 45/4885SIGMAR1 2475/4885

“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.