SCHEMBL5048495

SCHEMBL5048495

CCCC[Sn](CCCC)(CCCC)c1ccc2nc(-c3ccccc3N(C)C)cn2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
ALDH1A1 P00352 2/20 0.35
PKM P14618 2/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
APP P05067 10/20 0.34
HRH3 Q9Y5N1 3/20 0.34
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 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
SCHEMBL1727131 0.79 APP (0.59) APP
SCHEMBL913532 0.74 APP (0.58) KDM4ERAB9ANPC1ALDH1A1PKM
SCHEMBL5048522 0.74 APP (0.58) KDM4ERAB9ANPC1ALDH1A1PKM
SCHEMBL1727285 0.74 NPC1 (0.49) KDM4ERAB9ANPC1ALDH1A1PKM
SCHEMBL2904434 0.74 ALDH1A3 (0.54) KDM4ERAB9ANPC1ALDH1A1PKM
SCHEMBL15940370 0.73 HRH3 (0.43) KDM4ERAB9ANPC1ALDH1A1PKM
SCHEMBL2904661 0.72 ALDH1A3 (0.60) KDM4ERAB9ANPC1ALDH1A1PKM
SCHEMBL1726214 0.71 RAB9A (0.56) KDM4ERAB9ANPC1ALDH1A1PKM
SCHEMBL2435107 0.70 HRH3 (0.43) KDM4ERAB9ANPC1ALDH1A1PKM
SCHEMBL4154943 0.69 APP (0.42) KDM4ERAB9ANPC1ALDH1A1PKM

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 10 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
US-20030059369-A1 Amyloid plaque aggregation inhibitors and diagnostic imaging agents THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2003-03-27 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 (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 KDM4E 4657/4885RAB9A 2707/4885NPC1 117/4885
US-20030059369-A1 Amyloid plaque aggregation inhibitors and diagnostic imaging agents APP, APBA1, IAPP KDM4E 4657/4885RAB9A 2707/4885NPC1 117/4885
US-20040131545-A1 Amyloid plaque aggregation inhibitors and diagnostic imaging agents APP, APBA1, BACE1 KDM4E 4655/4885RAB9A 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 KDM4E 1627/4885RAB9A 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.