SCHEMBL2817233

SCHEMBL2817233

COc1ccc2nc(-c3ccc(OCCF)cc3)cn2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.62
ALDH1A3 P47895 5/20 0.62
HRH3 Q9Y5N1 4/20 0.54
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
KDM4E B2RXH2 4/20 0.53
PKM P14618 4/20 0.53
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
EPHX2 P34913 1/20 0.52
POLB P06746 1/20 0.52
GAA P10253 1/20 0.52
MAPK1 P28482 1/20 0.49
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
DRD2 P14416 2/20 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
SCHEMBL3301661 0.94 APP (0.61) APPALDH1A3HRH3NPC1RAB9A
SCHEMBL12855179 0.88 HRH3 (0.68) APPALDH1A3HRH3NPC1RAB9A
SCHEMBL3302715 0.87 APP (0.62) APPALDH1A3HRH3NPC1RAB9A
SCHEMBL1726040 0.84 HRH3 (0.67) APPALDH1A3HRH3NPC1RAB9A
SCHEMBL796015 0.84 APP (0.59) APPALDH1A3HRH3NPC1RAB9A
SCHEMBL3627471 0.84 ALDH1A3 (0.51) APPALDH1A3HRH3NPC1RAB9A
SCHEMBL13453287 0.84 APP (0.69) APP
SCHEMBL4154941 0.84 APP (0.69) APP
SCHEMBL3302992 0.83 HRH3 (0.53) APPALDH1A3HRH3NPC1RAB9A
SCHEMBL13325701 0.82 ALDH1A3 (0.74) APPALDH1A3NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249418-A1 NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID NIHON MEDI-PHYSICS CO., LTD. (JP) 2010-09-30 US disclosed
EP-2213672-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-20100249418-A1 NOVEL COMPOUND HAVING AFFINITY FOR AMYLOID APP, APBA1, C1QBP APP 1/4885ALDH1A3 3003/4885HRH3 21/4885

“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.