SCHEMBL3525644

SCHEMBL3525644

O=C1CC(CCc2ccc(F)cc2)=NN1c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.40
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
LMNA P02545 3/20 0.39
TSHR P16473 1/20 0.38
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
CYP2C19 P33261 1/20 0.37
CES2 O00748 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL3529017 0.82 SHMT2 (0.48) SHMT2KMT2AMEN1LMNATSHR
SCHEMBL3533968 0.71 KMT2A (0.60) KMT2AMEN1LMNATSHRMAPT
SCHEMBL28774862 0.71 LMNA (0.39) KMT2AMEN1LMNAMAPTADRA1D
SCHEMBL1661307 0.69 MEN1 (0.46) KMT2AMEN1MAPTGAA
SCHEMBL3533237 0.68 MEN1 (0.45) KMT2AMEN1TSHRMAPTALDH1A1
SCHEMBL5975717 0.68 SHMT2 (0.59) SHMT2KMT2AMEN1LMNATSHR
SCHEMBL2595479 0.68 TDP1 (0.47) SHMT2KMT2AMEN1LMNATSHR
SCHEMBL14559419 0.67 SHMT2 (0.54) SHMT2KMT2AMEN1LMNATSHR
SCHEMBL14559423 0.66 SHMT2 (0.52) SHMT2KMT2AMEN1LMNATSHR
SCHEMBL253656 0.65 LMNA (0.43) KMT2ALMNATSHRMAPTALDH1A1

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 SHMT2 1601/4885KMT2A 4086/4885MEN1 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.