SCHEMBL15869887

SCHEMBL15869887

Cc1ccc(Cn2cnc3c2c(=O)n(Cc2ccc(O)c(O)c2)c(=O)n3C)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
LMNA P02545 4/20 0.53
HTT P42858 2/20 0.53
UBE2N P61088 2/20 0.53
POLB P06746 1/20 0.53
HIF1A Q16665 1/20 0.53
MAPK1 P28482 2/20 0.51
GLA P06280 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
RXFP1 Q9HBX9 3/20 0.49
ADORA2B P29275 2/20 0.49
ABCC8 Q09428 1/20 0.49
KCNJ11 Q14654 1/20 0.49
TP53 P04637 1/20 0.47
TRPA1 O75762 4/20 0.46
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE1C Q14123 1/20 0.43
CASP1 P29466 1/20 0.42
ESR1 P03372 1/20 0.41

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
SCHEMBL14907924 0.94 SMN1; SMN2 (0.58) SMN1; SMN2LMNAHTTUBE2NPOLB
SCHEMBL15869886 0.92 SMN1; SMN2 (0.53) SMN1; SMN2LMNAHTTUBE2NPOLB
SCHEMBL14907910 0.85 SMN1; SMN2 (0.58) SMN1; SMN2LMNAHTTUBE2NPOLB
SCHEMBL11014928 0.77 POLB (0.83) SMN1; SMN2LMNAHTTUBE2NPOLB
SCHEMBL14907925 0.76 MAPK1 (0.55) MAPK1ADORA2BCYP1A2PDE4ABLM
SCHEMBL15869889 0.75 HIF1A (0.56) SMN1; SMN2LMNAHTTUBE2NPOLB
SCHEMBL7018390 0.74 LMNA (0.69) SMN1; SMN2LMNAHTTUBE2NPOLB
SCHEMBL15869888 0.74 SMN1; SMN2 (0.49) SMN1; SMN2LMNAHTTHIF1AMAPK1
SCHEMBL15870745 0.74 SMN1; SMN2 (0.52) SMN1; SMN2LMNAHTTUBE2NPOLB
SCHEMBL18990510 0.73 SMN1; SMN2 (0.69) SMN1; SMN2LMNAHTTUBE2NPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9169255-B2 Caffeinated compounds and compositions for treatment of amyloid diseases and synucleinopathies PROTEO TECH INC. (US) 2015-10-27 US disclosed
US-20140194447-A1 CAFFEINATED COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES PROTAMED, INC. 2014-07-10 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-20140194447-A1 CAFFEINATED COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES SNCA, PARK7, APP SMN1; SMN2 20/4885LMNA 1005/4885HTT 8/4885

“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.