SCHEMBL772950

SCHEMBL772950

COc1ccc2sc3nc(-c4ccc(NC(C)=O)cc4)cn3c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.66
RXFP1 Q9HBX9 3/20 0.66
APP P05067 1/20 0.64
MAPT P10636 6/20 0.59
HSD17B10 Q99714 2/20 0.59
ALDH1A1 P00352 2/20 0.59
HPGD P15428 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
GAA P10253 1/20 0.59
CASP1 P29466 1/20 0.59
PPARG P37231 1/20 0.59
NCOA2 Q15596 1/20 0.59
NCOA1 Q15788 1/20 0.59
NR2E3 Q9Y5X4 1/20 0.59
NCOR2 Q9Y618 1/20 0.59
KMT2A Q03164 2/20 0.58
POLB P06746 2/20 0.58
USP2 O75604 1/20 0.58
FLT3 P36888 2/20 0.56
TP53 P04637 2/20 0.56

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
SCHEMBL772949 0.92 APP (0.77) LMNARXFP1APPMAPTHSD17B10
SCHEMBL771889 0.87 APP (0.83) LMNARXFP1APPMAPTPOLB
SCHEMBL11035096 0.86 MAPT (0.60) LMNARXFP1APPMAPTALDH1A1
SCHEMBL11037810 0.85 LMNA (0.62) LMNARXFP1APPMAPTALDH1A1
SCHEMBL11008475 0.84 MAPT (0.63) LMNARXFP1APPMAPTALDH1A1
SCHEMBL11012116 0.82 FLT3 (0.53) LMNARXFP1MAPTHSD17B10ALDH1A1
SCHEMBL773411 0.82 MAPT (0.55) LMNARXFP1APPMAPTALDH1A1
SCHEMBL772567 0.82 MAPT (0.63) LMNARXFP1APPMAPTALDH1A1
Bromide SCHEMBL3867316 0.82 TP53 (0.63) LMNARXFP1APPMAPTALDH1A1
SCHEMBL3045414 0.82 MAPT (0.63) LMNARXFP1APPMAPTALDH1A1

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-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

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 LMNA 1196/4885RXFP1 569/4885APP 2/4885

“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.