SCHEMBL3529002

SCHEMBL3529002

O=C1CC(C2CC2)=NN1c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
CYP17A1 P05093 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.43
HTR7 P34969 1/20 0.42
ALOX5 P09917 2/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
NOTUM Q6P988 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 1/20 0.41

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
SCHEMBL3535982 0.82 KMT2A (0.47) KMT2AMEN1KDM4EGAAMAPT
SCHEMBL3532077 0.82 KMT2A (0.64) KMT2AMEN1KDM4EGAAMAPT
SCHEMBL178802 0.81 KMT2A (0.51) KMT2AMEN1PDCD1CD274KDM4E
SCHEMBL4661641 0.80 MAPT (0.65) KMT2AMEN1PDCD1CD274KDM4E
SCHEMBL3530839 0.78 GAA (0.57) KMT2AMEN1KDM4EGAAMAPT
SCHEMBL7254685 0.77 CD274 (0.55) KMT2AMEN1PDCD1CD274KDM4E
SCHEMBL766140 0.73 GAA (0.51) KMT2AMEN1PDCD1CD274KDM4E
SCHEMBL3529246 0.73 ALDH1A1 (0.40) KMT2AMEN1KDM4EMAPTHTT
SCHEMBL3531425 0.73 GAA (0.54) KMT2AMEN1KDM4EGAAMAPT
SCHEMBL3531736 0.73 KMT2A (0.44) KMT2AMEN1KDM4EGAAMAPT

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 KMT2A 4086/4885MEN1 1683/4885PDCD1 2388/4885

“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.