SCHEMBL5132273

SCHEMBL5132273

Cc1c(-c2ccco2)sc2[nH]c(=O)n(CC(C)C)c(=O)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.44
POLB P06746 3/20 0.44
PKM P14618 3/20 0.44
GAA P10253 3/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
HPGD P15428 6/20 0.43
KDM4E B2RXH2 4/20 0.43
NPSR1 Q6W5P4 3/20 0.37
TSHR P16473 2/20 0.37
RECQL P46063 4/20 0.36
TDP1 Q9NUW8 4/20 0.36
KMT2A Q03164 3/20 0.36
RXFP1 Q9HBX9 2/20 0.36
MEN1 O00255 2/20 0.36
APEX1 P27695 1/20 0.36
BLM P54132 1/20 0.36
ADORA2B P29275 1/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL5130696 0.87 KDM4E (0.40) ALDH1A1POLBPKMLMNAHTT
SCHEMBL5132254 0.82 TDP1 (0.35) ALDH1A1POLBPKMLMNAHTT
SCHEMBL5132710 0.81 TMIGD3 (0.38) ALDH1A1POLBPKMGAALMNA
SCHEMBL5131384 0.81 HPGD (0.38) ALDH1A1PKMGAALMNAHTT
SCHEMBL5132014 0.80 ACACA (0.36)
SCHEMBL5133074 0.80 ALDH1A1 (0.43) ALDH1A1POLBPKMGAALMNA
SCHEMBL5130975 0.78 ALDH1A1 (0.42) ALDH1A1POLBPKMGAALMNA
SCHEMBL7203074 0.76 MEN1 (0.43) ALDH1A1GAAHTTHPGDKDM4E
SCHEMBL5133471 0.74 PDE1A (0.34) ALDH1A1LMNAHTTHPGDKDM4E
SCHEMBL5133070 0.74 PDE1A (0.35) ALDH1A1PKMGAALMNAKDM4E

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-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 419/4885POLB 1603/4885PKM 4199/4885

“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.