SCHEMBL3629504

SCHEMBL3629504

COc1ccc2nc(-c3ccc(O)c(I)c3)cn2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.57
ALDH1A3 P47895 6/20 0.57
NPC1 O15118 9/20 0.53
PKM P14618 4/20 0.53
POLB P06746 3/20 0.53
GFER P55789 3/20 0.53
CASP6 P55212 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
RAB9A P51151 9/20 0.49
KDM4E B2RXH2 8/20 0.49
ALDH1A1 P00352 6/20 0.48
GAA P10253 3/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
MAPT P10636 4/20 0.48
HPGD P15428 4/20 0.48
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
HSD17B10 Q99714 2/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL2817276 0.81 ALDH1A3 (0.70) APPALDH1A3NPC1PKMPOLB
SCHEMBL2899627 0.81 ALDH1A3 (0.70) APPALDH1A3NPC1PKMPOLB
Bromide SCHEMBL3300229 0.80 ALDH1A3 (0.68) APPALDH1A3NPC1PKMPOLB
SCHEMBL3627471 0.78 ALDH1A3 (0.51) APPALDH1A3NPC1PKMPOLB
SCHEMBL13325701 0.78 ALDH1A3 (0.74) APPALDH1A3NPC1PKMPOLB
SCHEMBL3627422 0.77 ALDH1A3 (0.50) APPALDH1A3NPC1PKMPOLB
SCHEMBL3628740 0.77 RAB9A (0.57) APPALDH1A3NPC1PKMPOLB
Bromide SCHEMBL3629507 0.76 RAB9A (0.57) APPALDH1A3NPC1PKMPOLB
SCHEMBL2901138 0.75 ALDH1A3 (0.75) APPALDH1A3NPC1PKMPOLB
SCHEMBL2906109 0.75 ALDH1A3 (0.70) APPALDH1A3NPC1PKMPOLB

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 APP 1/4885ALDH1A3 3022/4885NPC1 948/4885

“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.