SCHEMBL5129502

SCHEMBL5129502

CCCn1c(=O)[nH]c2sc(Br)c(C)c2c1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
GLA P06280 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
ADORA2B P29275 7/20 0.39
ADORA3 P0DMS8 3/20 0.38
ADORA2A P29274 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
QPCT Q16769 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ADORA1 P30542 1/20 0.34
ATM Q13315 1/20 0.33
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL5133382 0.92 MAPT (0.43) MAPTRXFP1ADORA2BADORA3ADORA2A
SCHEMBL5035308 0.88 MAPT (0.38) MAPTGLARXFP1ADORA2BADORA3
SCHEMBL5133070 0.81 PDE1A (0.35) ADORA2BQPCTSMN1; SMN2ALDH1A1LMNA
SCHEMBL14945530 0.80 GRIN2D (0.35) MAPTRXFP1ADORA2BQPCTSMN1; SMN2
SCHEMBL5132221 0.79 ALDH1A1 (0.40) MAPTRXFP1ADORA2BADORA3ADORA2A
SCHEMBL5132724 0.79 ALDH1A1 (0.38) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL14945533 0.79 ALDH1A1 (0.34) MAPTRXFP1ADORA2BQPCTSMN1; SMN2
SCHEMBL7593499 0.79 ALDH1A1 (0.42) MAPTRXFP1SMN1; SMN2ALDH1A1LMNA
SCHEMBL31750226 0.78 ALDH1A1 (0.56) MAPTADORA2BSMN1; SMN2ALDH1A1LMNA
SCHEMBL5131623 0.75 QPCT (0.44) RXFP1ADORA2BADORA2APDE4APDE4B

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 3 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 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 MAPT 403/4885GLA 3991/4885RXFP1 3595/4885

“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.