SCHEMBL5133022

SCHEMBL5133022

CCn1c(=O)[nH]c2sc(-c3cccs3)c(C)c2c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.49
HTT P42858 6/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
RXFP1 Q9HBX9 4/20 0.49
PPARG P37231 3/20 0.49
NCOA2 Q15596 3/20 0.49
NCOA1 Q15788 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
ADORA2B P29275 2/20 0.41
KDM4E B2RXH2 6/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
RCE1 Q9Y256 1/20 0.40
CYP1A2 P05177 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
LMNA P02545 3/20 0.37
PKM P14618 1/20 0.37
ADORA2A P29274 1/20 0.36

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
SCHEMBL5133074 0.87 ALDH1A1 (0.43) ALDH1A1HTTMEN1KMT2ARXFP1
SCHEMBL5129549 0.85 GRIN1 (0.47) ALDH1A1HTTMEN1KMT2ARXFP1
SCHEMBL5130419 0.84 ALDH1A1 (0.46) ALDH1A1HTTMEN1KMT2ARXFP1
SCHEMBL5130829 0.82 ADORA2B (0.38) ALDH1A1HTTMEN1KMT2ARXFP1
SCHEMBL5129546 0.81 ADORA2B (0.42) ALDH1A1HTTMEN1KMT2ARXFP1
SCHEMBL5131718 0.81 ADORA2B (0.45) ALDH1A1HTTMEN1KMT2AADORA2B
SCHEMBL5125685 0.81 ADORA2B (0.36) ALDH1A1HTTMEN1KMT2ARXFP1
SCHEMBL5425991 0.81 ALDH1A1 (0.49) ALDH1A1HTTMEN1KMT2ARXFP1
SCHEMBL5130758 0.81 ADORA2B (0.39) ALDH1A1HTTMEN1KMT2ARXFP1
SCHEMBL5132957 0.79 CDC7 (0.44) ALDH1A1HTTMEN1KMT2ARXFP1

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 419/4885HTT 48/4885MEN1 4882/4885

“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.