SCHEMBL3535175

SCHEMBL3535175

O=c1cc(C2CC2)n(Cc2ccccn2)n1-c1ccc(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
RECQL P46063 1/20 0.42
NOX4 Q9NPH5 3/20 0.41
HSD11B1 P28845 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2B Q13224 2/20 0.38
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.36
GFER P55789 1/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
OPRM1 P35372 1/20 0.36
SCN9A Q15858 1/20 0.36
GPR6 P46095 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
SCHEMBL3531263 0.83 HSD11B1 (0.53) HSD11B1CYP3A4ALDH1A1KMT2AGAA
SCHEMBL3530595 0.82 HSD11B1 (0.41) KDM4ERECQLNOX4HSD11B1CYP3A4
SCHEMBL3531974 0.82 HSD11B1 (0.45) KDM4ERECQLNOX4HSD11B1CYP3A4
SCHEMBL3531092 0.82 HSD11B1 (0.41) KDM4EHSD11B1CYP3A4ALDH1A1KMT2A
SCHEMBL3529672 0.80 HSD11B1 (0.45) HSD11B1CYP3A4ALDH1A1KMT2ALMNA
SCHEMBL3533983 0.77 HSD11B1 (0.36) HSD11B1CYP3A4ALDH1A1OPRM1
SCHEMBL3526622 0.75 HSD11B1 (0.36) HSD11B1CYP3A4
SCHEMBL3531778 0.74 HSD11B1 (0.44) HSD11B1CYP3A4
SCHEMBL3535358 0.72 HSD11B1 (0.38) HSD11B1CYP3A4ALDH1A1OPRM1
SCHEMBL3530514 0.72 P2RX7 (0.40) KDM4EALDH1A1SMN1; 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 KDM4E 2143/4885RECQL 1756/4885NOX4 914/4885

“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.