SCHEMBL3535509

SCHEMBL3535509

O=c1c2c([nH]n1-c1ccccc1)CCCCC2

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.97
KMT2A Q03164 7/20 0.97
ALDH1A1 P00352 7/20 0.68
L3MBTL1 Q9Y468 5/20 0.68
TDP1 Q9NUW8 3/20 0.68
POLB P06746 2/20 0.68
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
AGTR1 P30556 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TSHR P16473 1/20 0.46
MPI P34949 1/20 0.46
ALPL P05186 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALPI P09923 1/20 0.46
ALPG P10696 1/20 0.46
HPGD P15428 3/20 0.43

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
SCHEMBL3532027 0.98 MEN1 (1.00) MEN1KMT2AALDH1A1L3MBTL1TDP1
SCHEMBL11269804 0.95 MEN1 (0.93) MEN1KMT2AALDH1A1L3MBTL1TDP1
SCHEMBL11595466 0.84 MEN1 (0.69) MEN1KMT2AALDH1A1L3MBTL1TDP1
SCHEMBL10746273 0.82 MEN1 (0.71) MEN1KMT2AALDH1A1L3MBTL1TDP1
SCHEMBL23723002 0.80 KMT2A (0.71) MEN1KMT2AALDH1A1L3MBTL1TDP1
SCHEMBL31747051 0.80 KMT2A (0.71) MEN1KMT2AALDH1A1L3MBTL1TDP1
SCHEMBL1968898 0.79 MEN1 (0.67) MEN1KMT2AALDH1A1L3MBTL1TDP1
SCHEMBL11591539 0.79 MEN1 (0.67) MEN1KMT2AALDH1A1L3MBTL1TDP1
SCHEMBL2306226 0.75 MEN1 (0.61) MEN1KMT2AALDH1A1L3MBTL1TDP1
SCHEMBL14150887 0.75 MEN1 (0.61) MEN1KMT2AALDH1A1L3MBTL1TDP1

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 4086/4885ALDH1A1 105/4885

“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.