SCHEMBL45882

SCHEMBL45882

Bc1cn(C)c(=O)[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.43
CRBN Q96SW2 1/20 0.40
MAPK1 P28482 2/20 0.36
CYP3A4 P08684 1/20 0.36
PMP22 Q01453 1/20 0.36
TDP1 Q9NUW8 2/20 0.33
CYP2C9 P11712 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
PDE4A P27815 1/20 0.32
ADORA2A P29274 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTT P42858 1/20 0.31
CYP1A2 P05177 3/20 0.30
CYP2C19 P33261 3/20 0.30
GAA P10253 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL16248 0.74 MAPK1 (0.47) DAOCRBNMAPK1HPGD
SCHEMBL2986044 0.73 DAO (0.46) DAOCRBNMAPK1CYP3A4PMP22
SCHEMBL35345 0.73 TDP1 (0.57) DAOCRBNTDP1KMT2ASMN1; SMN2
SCHEMBL4379053 0.73 DAO (0.43) DAOCRBNMAPK1CYP3A4PMP22
SCHEMBL4379055 0.73 DAO (0.43) DAOCRBNMAPK1CYP3A4PMP22
SCHEMBL23224166 0.73 DAO (0.43) DAOCRBNMAPK1CYP3A4PMP22
SCHEMBL6420314 0.73 MAPK1 (0.46) DAOCRBNMAPK1HPGD
SCHEMBL20215653 0.71 DAO (0.46) DAOCRBNMAPK1CYP3A4PMP22
SCHEMBL35260 0.71 SMN1; SMN2 (0.42) DAOCRBNMAPK1CYP3A4PMP22
SCHEMBL11144152 0.71 TDP1 (0.55) DAOCRBNTDP1KMT2ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012077800-A1 NOVEL NUCLEOSIDE ANALOG AND UTILIZATION THEREOF 国立大学法人九州大学 (JP) 2012-06-14 WO disclosed
US-20110059014-A1 COMPOUNDS AND METHODS OF MAKING COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-03-10 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-20110059014-A1 COMPOUNDS AND METHODS OF MAKING COMPOUNDS MCL1, TOP2B, TOP1 DAO 3262/4885CRBN 1469/4885MAPK1 885/4885

“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.