SCHEMBL2408424

SCHEMBL2408424

Cc1nn(-c2ccc(N(C)C)cc2)cc1I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.43
GAA P10253 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 2/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
APP P05067 6/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
KAT2B Q92831 1/20 0.33
ALOX5 P09917 1/20 0.33
GFER P55789 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL6352725 0.79 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTGAANPSR1
SCHEMBL23130243 0.79 NPC1 (0.42) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL15987826 0.79 MAPT (0.39) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL31466216 0.71 L3MBTL1 (0.43) ALDH1A1KDM4EMAPTGAAL3MBTL1
SCHEMBL11107461 0.70 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTGAANPSR1
SCHEMBL6158008 0.69 KDM4E (0.34) ALDH1A1KDM4EMAPTGAANPSR1
SCHEMBL25900771 0.68 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTGAANPSR1
SCHEMBL16000553 0.68 HDAC8 (0.46) ALDH1A1KDM4EMAPTGAANPSR1
SCHEMBL31233793 0.64 KDM4E (0.46) ALDH1A1KDM4EMAPTGAANPSR1
SCHEMBL2019795 0.64 APP (0.53) APP

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130084245-A1 PET MONITORING OF A-BETA-DIRECTED IMMUNOTHERAPY WYETH LLC (US) 2013-04-04 US disclosed
US-20130084245-A1 PET MONITORING OF A-BETA-DIRECTED IMMUNOTHERAPY WYETH LLC (US) 2013-04-04 US disclosed
US-20130084245-A1 PET MONITORING OF A-BETA-DIRECTED IMMUNOTHERAPY WYETH LLC (US) 2013-04-04 US disclosed
EP-2538982-A1 PET MONITORING OF AB-DIRECTED IMMUNOTHERAPY Janssen Alzheimer Immunotherapy (IE) 2013-01-02 EP disclosed
WO-2011106732-A1 PET MONITORING OF AB-DIRECTED IMMUNOTHERAPY WYETH LLC (US) 2011-09-01 WO disclosed
WO-2011106732-A1 PET MONITORING OF AB-DIRECTED IMMUNOTHERAPY WYETH LLC (US) 2011-09-01 WO disclosed
US-20050271584-A1 Biphenyls and fluorenes as imaging agents in alzheimer's disease THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2005-12-08 US disclosed
EP-1553985-A2 BIPHENYLS AND FLUORENES AS IMAGING AGENTS IN ALZHEIMER'S DISEASE The Trustees of The University of Pennsylvania (US) 2005-07-20 EP disclosed
WO-2004032975-A2 BIPHENYLS AND FLUORENES AS IMAGING AGENTS IN ALZHEIMER'S DISEASE THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2004-04-22 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 (2 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-20130084245-A1 PET MONITORING OF A-BETA-DIRECTED IMMUNOTHERAPY APBA1, APP, BACE1 ALDH1A1 2529/4885KDM4E 4381/4885MAPT 8/4885
US-20050271584-A1 Biphenyls and fluorenes as imaging agents in alzheimer's disease APP, BACE2, BACE1 ALDH1A1 1533/4885KDM4E 3436/4885MAPT 4/4885

“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.