SCHEMBL3629663

SCHEMBL3629663

CCCC[Sn](CCCC)(CCCC)c1ccc2nc(-c3ccc(OCCO)cc3OC)cn2c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 8/20 0.44
HRH3 Q9Y5N1 5/20 0.41
TLR7 Q9NYK1 7/20 0.41
ALDH1A3 P47895 1/20 0.38
TLR8 Q9NR97 2/20 0.37
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL1727327 0.84 HRH3 (0.57) HRH3ALDH1A3KDM4ENPC1ALDH1A1
SCHEMBL1727121 0.83 ALDH1A1 (0.44) HRH3ALDH1A3TLR8KDM4ENPC1
SCHEMBL1726366 0.81 HRH3 (0.56) HRH3ALDH1A3KDM4ENPC1ALDH1A1
SCHEMBL3627420 0.80 TLR9 (0.54) TLR9TLR7ALDH1A3TLR8DRD2
SCHEMBL1726212 0.79 HRH3 (0.56) HRH3ALDH1A3KDM4ENPC1ALDH1A1
SCHEMBL3622542 0.79 RAB9A (0.49) HRH3ALDH1A3KDM4ENPC1ALDH1A1
SCHEMBL2904661 0.78 ALDH1A3 (0.60) TLR9HRH3TLR7ALDH1A3TLR8
SCHEMBL1727498 0.75 HRH3 (0.56) HRH3KDM4ENPC1ALDH1A1PKM
SCHEMBL3630481 0.75 TLR9 (0.50) TLR9TLR7ALDH1A3TLR8KDM4E
SCHEMBL1726214 0.75 RAB9A (0.56) HRH3ALDH1A3KDM4ENPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399672-B2 Compound having affinity for amyloid NIHON MEDI-PHYSICS CO., LTD. (JP) 2013-03-19 US disclosed
US-20100292479-A1 NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID NIHON MEDI-PHYSICS CO., LTD. (JP) 2010-11-18 US disclosed
EP-2213671-A1 NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID Nihon Medi-Physics Co., Ltd. (JP) 2010-08-04 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 (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-20100292479-A1 NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID APP, APBA1, BACE1 TLR9 4842/4885HRH3 12/4885TLR7 4712/4885

“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.