SCHEMBL796258

SCHEMBL796258

Oc1ccc2nc(-c3ccc(-c4ccc(I)nn4)cc3)sc2c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 16/20 0.60
SULT1A1 P50225 4/20 0.60
MAPT P10636 3/20 0.56
TP53 P04637 1/20 0.53
THRB P10828 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL796675 0.84 APP (0.60) APPSULT1A1MAPTTP53THRB
SCHEMBL796259 0.84 APP (0.68) APPSULT1A1MAPTTP53THRB
SCHEMBL1572293 0.82 APP (0.72) APPSULT1A1MAPTTP53THRB
SCHEMBL5423269 0.81 APP (0.81) APPSULT1A1MAPTTP53THRB
SCHEMBL796580 0.77 MAPT (0.46) APPSULT1A1MAPTGLAGAA
SCHEMBL9238817 0.76 APP (1.00) APPSULT1A1MAPTTP53THRB
SCHEMBL2036269 0.76 APP (1.00) APPSULT1A1MAPTTP53THRB
SCHEMBL2922465 0.76 APP (0.72) APPSULT1A1MAPTTP53THRB
SCHEMBL3237813 0.75 APP (0.71) APPSULT1A1MAPTTP53THRB
SCHEMBL10032122 0.75 APP (0.75) APPSULT1A1MAPTTP53THRB

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
WO-2010092111-A2 COMPOUNDS FOR NON-INVASIVE MEASUREMENT OF AGGREGATES OF AMYLOID PEPTIDES Technische Universität München (DE) 2010-08-19 WO 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 2/4885SULT1A1 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.