SCHEMBL5133333

SCHEMBL5133333

CCn1c(=O)[nH]c2sc(-c3ccsc3)c(C)c2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
HSD17B10 Q99714 3/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 6/20 0.38
HPGD P15428 3/20 0.38
RXFP1 Q9HBX9 2/20 0.38
KDM4A O75164 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
CYP1A2 P05177 2/20 0.38
ADORA2B P29275 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PPARG P37231 1/20 0.34
HTT P42858 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA1 Q15788 1/20 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
SCHEMBL5132957 0.84 CDC7 (0.44) KDM4ENPSR1HSD17B10ALDH1A1HPGD
SCHEMBL5131718 0.84 ADORA2B (0.45) KDM4EHSD17B10TSHRALDH1A1HPGD
SCHEMBL5132252 0.80 TMIGD3 (0.40) KDM4ENPSR1HSD17B10ALDH1A1RXFP1
SCHEMBL5129546 0.79 ADORA2B (0.42) KDM4ENPSR1ALDH1A1RXFP1CYP1A2
SCHEMBL5130992 0.79 TRPC5 (0.37) ALDH1A1HPGDCYP1A2ADORA2BHTT
SCHEMBL5133022 0.78 ALDH1A1 (0.49) KDM4ENPSR1HSD17B10TSHRALDH1A1
SCHEMBL5129176 0.78 CYP2C19 (0.42) KDM4EALDH1A1CYP1A2ADORA2BTDP1
SCHEMBL5130829 0.78 ADORA2B (0.38) KDM4ENPSR1ALDH1A1HPGDRXFP1
SCHEMBL5130758 0.76 ADORA2B (0.39) NPSR1TSHRALDH1A1RXFP1CYP1A2
SCHEMBL5125685 0.76 ADORA2B (0.36) KDM4ENPSR1TSHRALDH1A1RXFP1

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 KDM4E 635/4885NPSR1 633/4885HSD17B10 2576/4885

“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.