SCHEMBL3535467

SCHEMBL3535467

Cn1c(C2CC2)cc(=O)n1-c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HSD11B1 P28845 4/20 0.39
SMURF1 Q9HCE7 3/20 0.38
MGLL Q99685 1/20 0.38
MAPT P10636 1/20 0.38
NOX4 Q9NPH5 1/20 0.36
SMURF2 Q9HAU4 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
NOTUM Q6P988 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL3535358 0.85 HSD11B1 (0.38) HSD11B1ALDH1A1
SCHEMBL3531003 0.85 HCAR1 (0.37) MEN1KMT2AHSD11B1SMURF1ALDH1A1
SCHEMBL3533770 0.85 MAPT (0.41) MEN1KMT2AMGLLMAPTHPGD
SCHEMBL3532956 0.85 HSD11B1 (0.42) MEN1KMT2AHSD11B1MGLLMAPT
SCHEMBL3537437 0.84 LMNA (0.40) MEN1KMT2AMGLLMAPTTP53
SCHEMBL3528700 0.84 GRIA1 (0.35)
SCHEMBL3533292 0.83 HSD11B1 (0.46) MEN1KMT2AHSD11B1MAPTALDH1A1
SCHEMBL3527587 0.81 MGLL (0.42) MEN1KMT2AMGLLMAPTHPGD
SCHEMBL3529348 0.81 MAPT (0.42) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL3535423 0.80 DRD2 (0.40) HSD11B1TP53NAPRTALDH1A1SMN1; 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 MEN1 1683/4885KMT2A 4086/4885HSD11B1 1/4885

“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.