SCHEMBL772949

SCHEMBL772949

COc1ccc2c(c1)sc1nc(-c3ccc(NC(C)=O)cc3)cn12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.77
LMNA P02545 3/20 0.74
RXFP1 Q9HBX9 1/20 0.74
MAPT P10636 4/20 0.69
TP53 P04637 4/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
TSHR P16473 1/20 0.69
RAB9A P51151 1/20 0.69
ATM Q13315 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
FLT3 P36888 1/20 0.66
THRB P10828 3/20 0.60
POLB P06746 2/20 0.58
HSD17B10 Q99714 2/20 0.58
USP2 O75604 1/20 0.58
KMT2A Q03164 1/20 0.58
ALDH1A1 P00352 1/20 0.57
GAA P10253 1/20 0.57
HPGD P15428 1/20 0.57
CASP1 P29466 1/20 0.57

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
SCHEMBL772950 0.92 LMNA (0.66) APPLMNARXFP1MAPTTP53
SCHEMBL11037730 0.88 APP (0.81) APPLMNARXFP1MAPTTP53
SCHEMBL11009851 0.87 APP (0.70) APPLMNARXFP1MAPTTP53
SCHEMBL771888 0.87 APP (1.00) APPLMNARXFP1MAPTTP53
SCHEMBL11035093 0.86 MAPT (0.73) APPLMNARXFP1MAPTTP53
SCHEMBL11037807 0.85 APP (0.72) APPLMNARXFP1MAPTTP53
SCHEMBL11008472 0.84 MAPT (0.78) APPLMNARXFP1MAPTTP53
SCHEMBL13291441 0.83 MAPT (0.80) APPLMNARXFP1MAPTTP53
SCHEMBL11012077 0.82 RAB9A (0.61) APPLMNARXFP1MAPTTP53
SCHEMBL773410 0.82 MAPT (0.67) APPLMNARXFP1MAPTTP53

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-20120070374-A1 Compounds for Non-Invasive Measurement of Aggregates of Amyloid Peptides TECHNISCHE UNIVERSITAT MUNCHEN (DE) 2012-03-22 US disclosed
US-20120070374-A1 Compounds for Non-Invasive Measurement of Aggregates of Amyloid Peptides TECHNISCHE UNIVERSITAT MUNCHEN (DE) 2012-03-22 US disclosed
EP-2218464-A1 Compounds for non-invasive measurement of aggregates of amyloid peptides Technische Universität München (DE) 2010-08-18 EP disclosed
EP-2218464-A1 Compounds for non-invasive measurement of aggregates of amyloid peptides Technische Universität München (DE) 2010-08-18 EP 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-20120070374-A1 Compounds for Non-Invasive Measurement of Aggregates of Amyloid Peptides IAPP, APP, HTT APP 2/4885LMNA 1196/4885RXFP1 569/4885

“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.