SCHEMBL796269

SCHEMBL796269

Oc1ccc2nc(-c3ccc(OCCF)c(O)c3)sc2c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 17/20 0.55
SULT1A1 P50225 3/20 0.55
MAPT P10636 3/20 0.50
TP53 P04637 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
HCRTR1 O43613 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
BLM P54132 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
THRB P10828 1/20 0.46

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
SCHEMBL13198317 0.88 APP (0.53) APPSULT1A1MAPT
SCHEMBL796277 0.88 MAPT (0.48) APPSULT1A1MAPTTP53SMN1; SMN2
SCHEMBL796559 0.87 MAPT (0.67) APPMAPTTP53SMN1; SMN2KDM4E
SCHEMBL796265 0.81 MAPT (0.74) APPSULT1A1MAPTTP53SMN1; SMN2
SCHEMBL13806268 0.75 APP (0.73) APPSULT1A1MAPTTP53SMN1; SMN2
SCHEMBL5423269 0.74 APP (0.81) APPSULT1A1MAPTTP53SMN1; SMN2
SCHEMBL29385461 0.73 APP (0.72) APPSULT1A1MAPTTP53SMN1; SMN2
SCHEMBL10032146 0.73 APP (0.72) APPSULT1A1MAPTTP53SMN1; SMN2
SCHEMBL13806265 0.72 APP (0.73) APPSULT1A1MAPTTP53SMN1; SMN2
SCHEMBL13198323 0.72 SMN1; SMN2 (0.54) APPMAPTTP53SMN1; SMN2KDM4E

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
US-20120070374-A1 Compounds for Non-Invasive Measurement of Aggregates of Amyloid Peptides TECHNISCHE UNIVERSITAT MUNCHEN (DE) 2012-03-22 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-20120070374-A1 Compounds for Non-Invasive Measurement of Aggregates of Amyloid Peptides IAPP, APP, HTT APP 2/4885SULT1A1 4000/4885MAPT 10/4885

“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.