SCHEMBL2020551

SCHEMBL2020551

CNc1ccc(-c2cn(-c3ccc(OCCOCCOCCF)cc3)nn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 11/20 0.55
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
MIF P14174 2/20 0.43
PTGS2 P35354 2/20 0.42
MAPT P10636 1/20 0.42
SNCA P37840 1/20 0.42
PTGS1 P23219 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA5A P35218 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
OGT O15294 1/20 0.42
S1PR1 P21453 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
SCHEMBL2021384 0.85 APP (0.55) APPDRD2DRD4DRD3MIF
SCHEMBL12573360 0.85 APP (0.55) APPDRD2DRD4DRD3MIF
SCHEMBL14048157 0.85 APP (0.55) APPDRD2DRD4DRD3MIF
SCHEMBL1251566 0.78 APP (0.64) APPMAPTSNCA
SCHEMBL1251526 0.78 APP (0.64) APPMAPTSNCA
SCHEMBL2025936 0.77 APP (0.51) APPDRD2DRD4DRD3MIF
SCHEMBL13453292 0.77 FLT3 (0.56) DRD2DRD4DRD3MIFPTGS2
SCHEMBL12573195 0.76 APP (0.55) APPMIFPTGS2PTGS1CA1
SCHEMBL12573172 0.75 MIF (0.46) APPMIFPTGS2PTGS1CA1
SCHEMBL12573356 0.74 FLT3 (0.66) PTGS2SNCAPTGS1CA1CA2

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-20110158907-A1 DIPHENYL-HETEROARYL DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES THE TRUSTEES OF THE UNIVERISTY OF PENNSYLVANIA (US) 2011-06-30 US disclosed
US-20110158907-A1 DIPHENYL-HETEROARYL DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES THE TRUSTEES OF THE UNIVERISTY OF PENNSYLVANIA (US) 2011-06-30 US disclosed
US-20110158907-A1 DIPHENYL-HETEROARYL DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES THE TRUSTEES OF THE UNIVERISTY OF PENNSYLVANIA (US) 2011-06-30 US disclosed
WO-2008131148-A1 DIPHENYL-HETEROARYL DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2008-10-30 WO 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-20110158907-A1 DIPHENYL-HETEROARYL DERIVATIVES AND THEIR USE FOR BINDING AND IMAGING AMYLOID PLAQUES APP, APBA1, BACE2 APP 1/4885DRD2 1394/4885DRD4 1250/4885

“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.