SCHEMBL3535982

SCHEMBL3535982

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
MAPT P10636 5/20 0.47
GAA P10253 4/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 3/20 0.44
ALDH1A1 P00352 3/20 0.44
APP P05067 1/20 0.41
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41
MEN1 O00255 5/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAOB P27338 2/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
GFER P55789 1/20 0.39
CYP1A2 P05177 1/20 0.39
CHRM2 P08172 1/20 0.39
CYP3A4 P08684 1/20 0.39
CHRM1 P11229 1/20 0.39

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
SCHEMBL3532077 0.85 KMT2A (0.64) KMT2AMAPTGAAKDM4EPOLB
SCHEMBL3529002 0.82 KMT2A (0.47) KMT2AMAPTGAAKDM4EALDH1A1
SCHEMBL3531736 0.82 KMT2A (0.44) KMT2AMAPTGAAKDM4EPOLB
SCHEMBL3530839 0.82 GAA (0.57) KMT2AMAPTGAAKDM4EPOLB
SCHEMBL4338431 0.78 MAPT (0.70) KMT2AMAPTGAAKDM4EPOLB
SCHEMBL3531063 0.77 CNR2 (0.38) KMT2AMAPTGAAALDH1A1MEN1
SCHEMBL3534159 0.77 HTR7 (0.36) KMT2AMAPTGAAKDM4EALDH1A1
SCHEMBL3531425 0.76 GAA (0.54) KMT2AMAPTGAAKDM4EPOLB
SCHEMBL3533237 0.74 MEN1 (0.45) KMT2AMAPTGAAKDM4EALDH1A1
SCHEMBL3528349 0.73 HCAR1 (0.40)

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 4086/4885MAPT 3706/4885GAA 2764/4885

“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.