SCHEMBL5133078

SCHEMBL5133078

CCn1c(=O)[nH]c2sc(CC(N)=O)c(C)c2c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 2/20 0.33
RXFP1 Q9HBX9 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 1/20 0.32
ADORA2B P29275 4/20 0.31
ADORA2A P29274 4/20 0.31
ADORA1 P30542 3/20 0.31
ADORA3 P0DMS8 2/20 0.31
SIRT1 Q96EB6 1/20 0.31
POLB P06746 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL5133402 0.84 HPGD (0.37) ALDH1A1MAPTRXFP1SIRT1HPGD
SCHEMBL5130443 0.78 ALDH1A1 (0.31) ALDH1A1LMNAHTTMAPTRXFP1
SCHEMBL5131623 0.77 QPCT (0.44) ALDH1A1LMNAHTTRXFP1CYP1A2
SCHEMBL5132729 0.77 ALDH1A1 (0.40) ALDH1A1LMNAHTTMAPTRXFP1
SCHEMBL5130407 0.77 ALDH1A1 (0.41) ALDH1A1LMNAHTTMAPTRXFP1
SCHEMBL5132704 0.76 ALDH1A1 (0.43) ALDH1A1LMNAHTTMAPTRXFP1
SCHEMBL5033927 0.76 ALDH1A1 (0.40) ALDH1A1LMNAHTTMAPTRXFP1
SCHEMBL16637755 0.75 ADORA2B (0.35) ALDH1A1LMNAHTTMAPTRXFP1
SCHEMBL5035308 0.75 MAPT (0.38) ALDH1A1LMNAHTTMAPTRXFP1
SCHEMBL13206028 0.75 ALDH1A1 (0.37) ALDH1A1LMNAHTTMAPTRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1989210-A2 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2008-11-12 EP claimed
WO-2007103776-A2 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2007-09-13 WO claimed
US-20070208040-A1 e.g. 3-ethyl-5-methyl-1,3-dihydrothiopheno[2,3-d]pyrimidine-2,4-dione; neurodegenerative disorders, antiischemic agent, antidepressant, attention deficit disorder, hepatic fibrosis, cirrhosis of the liver, and drug addiction GILEAD PALO ALTO, INC. 2007-09-06 US claimed
EP-1989210-A2 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2008-11-12 EP disclosed
WO-2007103776-A2 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2007-09-13 WO disclosed
US-20070208040-A1 e.g. 3-ethyl-5-methyl-1,3-dihydrothiopheno[2,3-d]pyrimidine-2,4-dione; neurodegenerative disorders, antiischemic agent, antidepressant, attention deficit disorder, hepatic fibrosis, cirrhosis of the liver, and drug addiction GILEAD PALO ALTO, INC. 2007-09-06 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-20070208040-A1 e.g. 3-ethyl-5-methyl-1,3-dihydrothiopheno[2,3-d]pyrimidine-2,4-dione; neurodegenerative disorders, antiischemic agent, antidepressant, attention deficit disorder, hepatic fibrosis, cirrhosis of the liver, and drug addiction CHRNE, CHRNA3, CHRNA1 ALDH1A1 419/4885LMNA 4733/4885HTT 48/4885

“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.