SCHEMBL2903885

SCHEMBL2903885

CCCC[Sn](CCCC)(CCCC)c1ccc(-c2cn3cc(OC)ccc3n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.57
ALDH1A3 P47895 4/20 0.56
HRH3 Q9Y5N1 4/20 0.50
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 4/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
PKM P14618 4/20 0.48
EPHX2 P34913 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.44
TLR8 Q9NR97 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
TLR9 Q9NR96 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL2904661 0.93 ALDH1A3 (0.60) APPALDH1A3HRH3NPC1RAB9A
SCHEMBL1726214 0.85 RAB9A (0.56) APPALDH1A3HRH3NPC1RAB9A
SCHEMBL12855179 0.84 HRH3 (0.68) APPALDH1A3HRH3NPC1RAB9A
SCHEMBL1727327 0.82 HRH3 (0.57) ALDH1A3HRH3NPC1RAB9AKDM4E
SCHEMBL1727498 0.81 HRH3 (0.56) APPHRH3NPC1RAB9AKDM4E
SCHEMBL1726366 0.81 HRH3 (0.56) ALDH1A3HRH3NPC1RAB9AKDM4E
SCHEMBL1726212 0.81 HRH3 (0.56) ALDH1A3HRH3NPC1RAB9AKDM4E
SCHEMBL2904434 0.81 ALDH1A3 (0.54) APPALDH1A3HRH3NPC1RAB9A
SCHEMBL1727285 0.81 NPC1 (0.49) APPALDH1A3HRH3NPC1RAB9A
SCHEMBL2435107 0.79 HRH3 (0.43) APPALDH1A3HRH3NPC1RAB9A

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-20100216994-A1 USE OF NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID, AND PROCESS FOR PRODUCTION OF THE SAME NIHON MEDI-PHYSICS CO., LTD. (JP) 2010-08-26 US disclosed
EP-2216052-A1 USE OF NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID, AND PROCESS FOR PRODUCTION OF THE SAME Nihon Medi-Physics Co., Ltd. (JP) 2010-08-11 EP disclosed
US-20090252680-A1 NOVEL COMPOUND WITH AFFINITY FOR AMYLOID NIHON- MEDI-PHYSICS CO., LTD (JP) 2009-10-08 US disclosed
EP-2098523-A1 NOVEL COMPOUNDS WITH AFFINITY FOR AMYLOID NIHON MEDI-PHYSICS CO., LTD. (JP) 2009-09-09 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 (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-20100216994-A1 USE OF NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID, AND PROCESS FOR PRODUCTION OF THE SAME APBA1, APP, S100A4 APP 2/4885ALDH1A3 2637/4885HRH3 130/4885
US-20090252680-A1 NOVEL COMPOUND WITH AFFINITY FOR AMYLOID APBA1, APP, SLC7A1 APP 2/4885ALDH1A3 3051/4885HRH3 248/4885

“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.