SCHEMBL14067385

SCHEMBL14067385

Cc1cc(F)cn2cc(-c3ccc(N(C)C)nc3)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
ALDH1A1 P00352 4/20 0.44
RAB9A P51151 4/20 0.44
NFKB1 P19838 3/20 0.44
NFKB2 Q00653 3/20 0.44
RELA Q04206 3/20 0.44
KDM4E B2RXH2 2/20 0.44
TP53 P04637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
APP P05067 4/20 0.40
TDO2 P48775 1/20 0.40
AOC3 Q16853 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SCD O00767 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
GAA P10253 1/20 0.37
CYP11B1 P15538 1/20 0.37

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
SCHEMBL14067384 0.85 APP (0.43) NPC1ALDH1A1RAB9ANFKB1NFKB2
SCHEMBL14067376 0.79 APP (0.39) NPC1RAB9AAPPTDO2AOC3
SCHEMBL14067364 0.78 APP (0.67) NPC1ALDH1A1RAB9AKDM4EAPP
SCHEMBL14067381 0.78 APP (0.43) NPC1ALDH1A1RAB9AKDM4ETP53
SCHEMBL14067368 0.77 TLR9 (0.48) NPC1ALDH1A1RAB9AKDM4ETP53
SCHEMBL14067399 0.76 APP (0.41) NPC1ALDH1A1RAB9ANFKB1NFKB2
SCHEMBL14067398 0.75 APP (0.37) NPC1ALDH1A1RAB9ANFKB1NFKB2
SCHEMBL14067405 0.74 APP (0.42) NPC1RAB9ATP53APPTDO2
SCHEMBL14067374 0.74 APP (0.40) NPC1RAB9AAPPTDO2GAA
SCHEMBL14067382 0.72 APP (0.43) NPC1ALDH1A1RAB9AKDM4ETP53

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-20080219922-A1 Alzheimer's Disease Imaging Agents EMORY UNIVERSITY 2008-09-11 US disclosed
US-20080219922-A1 Alzheimer's Disease Imaging Agents EMORY UNIVERSITY 2008-09-11 US disclosed
WO-2007033080-A2 ALZHEIMER'S DISEASE IMAGING AGENTS EMORY UNIVERSITY (US) 2007-03-22 WO 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-20080219922-A1 Alzheimer's Disease Imaging Agents APP, PSEN1, MAPT NPC1 48/4885ALDH1A1 4251/4885RAB9A 1812/4885

“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.