SCHEMBL3978746

SCHEMBL3978746

CCCCn1c(N)c(N=O)c(=O)n(Cc2ccccc2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 2/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
ATM Q13315 1/20 0.43
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 2/20 0.42
ADORA3 P0DMS8 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
ADORA2B P29275 2/20 0.40

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
SCHEMBL8873522 0.87 ALDH1A1 (0.49) SMN1; SMN2PKMRAB9AALDH1A1CYP3A4
SCHEMBL3977468 0.84 SMN1; SMN2 (0.48) SMN1; SMN2PKMRAB9APOLBTP53
SCHEMBL7743865 0.84 PDE4A (0.42) MAPTALDH1A1L3MBTL1GAAATM
SCHEMBL3239986 0.81 NPSR1 (0.52) RAB9AMAPTALDH1A1CYP3A4LMNA
SCHEMBL13746372 0.77 PDE4A (0.43) ALDH1A1LMNAADORA2BPDE4APDE4B
SCHEMBL5188473 0.77 PDE4A (0.38) ALDH1A1L3MBTL1LMNAADORA2BPDE4A
SCHEMBL3980944 0.75 MEN1 (0.45) SMN1; SMN2MAPTALDH1A1L3MBTL1ATM
SCHEMBL7356240 0.75 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1CYP3A4LMNAADORA2B
SCHEMBL3979221 0.74 HPGD (0.68) MAPTALDH1A1L3MBTL1GLAGAA
SCHEMBL13753866 0.74 ADORA2B (0.40) TP53ALDH1A1L3MBTL1LMNAADORA2B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1515972-B1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY HOFFMANN LA ROCHE (CH) 2009-05-13 EP disclosed
US-7135475-B2 Antidiabetic agents HOFFMANN-LA ROCHE INC. (US) 2006-11-14 US disclosed
EP-1515972-A1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2005-03-23 EP disclosed
US-20040014766-A1 Amide substituted xanthine derivatives HOFFMANN-LA ROCHE INC. 2004-01-22 US disclosed
WO-2003106459-A1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2003-12-24 WO 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-20040014766-A1 Amide substituted xanthine derivatives GYS2, GLS2, PYGL SMN1; SMN2 2776/4885PKM 209/4885RAB9A 2215/4885

“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.