SCHEMBL3627422

SCHEMBL3627422

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 6/20 0.50
APP P05067 2/20 0.49
RAB9A P51151 9/20 0.47
KDM4E B2RXH2 7/20 0.47
NPC1 O15118 7/20 0.47
ALDH1A1 P00352 6/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
MAPT P10636 5/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 3/20 0.46
PKM P14618 3/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
TSHR P16473 1/20 0.45

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
SCHEMBL3627471 0.95 ALDH1A3 (0.51) ALDH1A3APPRAB9AKDM4ENPC1
SCHEMBL3301661 0.84 APP (0.61) ALDH1A3APPRAB9AKDM4ENPC1
SCHEMBL3629405 0.81 ALDH1A3 (0.44) ALDH1A3APPRAB9AKDM4ENPC1
SCHEMBL2817233 0.78 APP (0.62) ALDH1A3APPRAB9AKDM4ENPC1
SCHEMBL3624019 0.77 ALDH1A3 (0.44) ALDH1A3APPRAB9AKDM4ENPC1
SCHEMBL3629504 0.77 APP (0.57) ALDH1A3APPRAB9AKDM4ENPC1
SCHEMBL3625931 0.76 RAB9A (0.57) ALDH1A3APPRAB9AKDM4ENPC1
SCHEMBL1727344 0.75 APP (0.62) ALDH1A3APPRAB9AKDM4ENPC1
SCHEMBL12855179 0.74 HRH3 (0.68) ALDH1A3APPRAB9AKDM4ENPC1
SCHEMBL3302992 0.74 HRH3 (0.53) ALDH1A3APPRAB9AKDM4ENPC1

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 ALDH1A3 3022/4885APP 1/4885RAB9A 2413/4885

“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.