SCHEMBL5048522

SCHEMBL5048522

CN(C)c1ccccc1-c1cn2cc(Br)ccc2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 9/20 0.58
RAB9A P51151 7/20 0.56
NPC1 O15118 6/20 0.56
KDM4E B2RXH2 5/20 0.56
KMT2A Q03164 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MEN1 O00255 2/20 0.56
MAPT P10636 1/20 0.56
PAX8 Q06710 1/20 0.46
PIK3CG P48736 1/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
POLB P06746 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL913532 0.83 APP (0.58) APPRAB9ANPC1KDM4EKMT2A
SCHEMBL20019411 0.80 RAB9A (0.59) APPRAB9ANPC1KDM4EKMT2A
SCHEMBL2900984 0.79 RAB9A (0.58) APPRAB9ANPC1KDM4EKMT2A
SCHEMBL4154943 0.75 APP (0.42) APPRAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL5048495 0.74 KDM4E (0.35) APPRAB9ANPC1KDM4EKMT2A
SCHEMBL5048521 0.74 APP (1.00) APPRAB9ANPC1PAX8
SCHEMBL970456 0.73 ALDH1A3 (0.69) APPRAB9ANPC1KDM4EKMT2A
SCHEMBL17179184 0.72 SMN1; SMN2 (1.00) APPRAB9ANPC1KDM4EKMT2A
SCHEMBL5302309 0.71 ALDH1A3 (0.75) APPRAB9ANPC1KDM4EKMT2A
SCHEMBL4938141 0.71 DYRK1A (0.36) RAB9ANPC1KDM4EMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE44354-E1 Amyloid plaque aggregation inhibitors and diagnostic imaging agents THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-07-09 US disclosed
US-RE44338-E1 Amyloid plaque aggregation inhibitors and diagnostic imaging agents THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-07-02 US disclosed
US-7425318-B2 Amyloid plaque aggregation inhibitors and diagnostic imaging agents THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2008-09-16 US disclosed
US-20070254889-A1 Compounds and methods useful for rescuing cells from beta-amyloid toxicity and treatment of Alzheimer's disease THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2007-11-01 US disclosed
EP-1381604-B1 AMYLOID PLAQUE AGGREGATION INHIBITORS AND DIAGNOSTIC IMAGING AGENTS UNIV PENNSYLVANIA (US) 2006-12-27 EP disclosed
US-20060051293-A1 Amyloid plaque aggregation inhibitors and diagnostic imaging agents THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2006-03-09 US disclosed
US-6946116-B2 Amyloid plaque aggregation inhibitors and diagnostic imaging agents THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2005-09-20 US disclosed
US-20040131545-A1 Amyloid plaque aggregation inhibitors and diagnostic imaging agents TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2004-07-08 US disclosed
US-6696039-B2 2-PHENYL-IMIDAZO(1,2A)PYRIDINE DERIVATIVES TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2004-02-24 US disclosed
EP-1381604-A2 AMYLOID PLAQUE AGGREGATION INHIBITORS AND DIAGNOSTIC IMAGING AGENTS University of Pennsylvania - Centre for Technology (US) 2004-01-21 EP disclosed
US-20030059369-A1 Amyloid plaque aggregation inhibitors and diagnostic imaging agents THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2003-03-27 US disclosed
WO-2002085903-A2 AMYLOID PLAQUE AGGREGATION INHIBITORS AND DIAGNOSTIC IMAGING AGENTS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2002-10-31 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 (4 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-20060051293-A1 Amyloid plaque aggregation inhibitors and diagnostic imaging agents APP, APBA1, IAPP APP 1/4885RAB9A 2707/4885NPC1 117/4885
US-20030059369-A1 Amyloid plaque aggregation inhibitors and diagnostic imaging agents APP, APBA1, IAPP APP 1/4885RAB9A 2707/4885NPC1 117/4885
US-20040131545-A1 Amyloid plaque aggregation inhibitors and diagnostic imaging agents APP, APBA1, BACE1 APP 1/4885RAB9A 2690/4885NPC1 126/4885
US-20070254889-A1 Compounds and methods useful for rescuing cells from beta-amyloid toxicity and treatment of Alzheimer's disease APP, BACE1, IAPP APP 1/4885RAB9A 327/4885NPC1 37/4885

“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.