SCHEMBL3535544

SCHEMBL3535544

O=c1c(Br)c(C2CC2)n(Cc2ccccc2)n1-c1ccc(F)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.56
CYP3A4 P08684 1/20 0.56
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GRM5 P41594 1/20 0.38
ACHE P22303 3/20 0.38
BACE1 P56817 3/20 0.38
BCHE P06276 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
PARK7 Q99497 3/20 0.37
CHRM4 P08173 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
LMNA P02545 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
SCHEMBL3535746 0.93 HSD11B1 (0.48) HSD11B1CYP3A4MEN1KMT2AHTT
SCHEMBL3530836 0.91 HSD11B1 (0.46) HSD11B1CYP3A4MEN1KMT2AHTT
SCHEMBL3531568 0.89 HSD11B1 (0.61) HSD11B1CYP3A4MEN1KMT2AHTT
SCHEMBL3530690 0.88 HSD11B1 (0.43) HSD11B1CYP3A4MEN1KMT2AL3MBTL1
SCHEMBL3530595 0.84 HSD11B1 (0.41) HSD11B1CYP3A4MEN1KMT2ASMN1; SMN2
SCHEMBL3531732 0.81 HSD11B1 (0.53) HSD11B1CYP3A4MEN1KMT2AHTT
SCHEMBL3534235 0.81 HSD11B1 (0.39) HSD11B1CYP3A4SMN1; SMN2ALDH1A1LMNA
SCHEMBL3531263 0.80 HSD11B1 (0.53) HSD11B1CYP3A4MEN1KMT2AGRM5
SCHEMBL3529149 0.80 HSD11B1 (0.41) HSD11B1CYP3A4SMN1; SMN2L3MBTL1PARK7
SCHEMBL3526953 0.80 HSD11B1 (0.51) HSD11B1CYP3A4L3MBTL1ACHEBACE1

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 45/4885MEN1 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.