SCHEMBL4919932

SCHEMBL4919932

CN(C)Sc1ccc(-c2cn3nc(F)ccc3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 14/20 0.42
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A3 P47895 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MITF O75030 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KDM5A P29375 1/20 0.36
KDM5C P41229 1/20 0.36
KMT2A Q03164 1/20 0.36
PAX8 Q06710 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL4921911 0.85 APP (0.41) APPNPC1RAB9AALDH1A3KDM4E
SCHEMBL10533395 0.79 NPC1 (0.57) APPNPC1RAB9AALDH1A3KDM4E
SCHEMBL15830689 0.69 NPC1 (0.48) APPNPC1RAB9AALDH1A3KDM4E
SCHEMBL14067323 0.68 F2RL3 (0.36) APPNPC1RAB9AKDM4EALDH1A1
SCHEMBL14076029 0.67 APP (0.60) APP
SCHEMBL17232819 0.67 DYRK1A (0.53) NPC1RAB9AALDH1A3KDM4EALDH1A1
SCHEMBL14067550 0.67 APP (0.41) APP
SCHEMBL2536912 0.66 RAB9A (0.48) APPNPC1RAB9AALDH1A3KDM4E
SCHEMBL14076025 0.66 APP (0.59) APP
SCHEMBL19297172 0.64 DRD2 (0.38) NPC1RAB9AKDM4ERXFP1

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 1 patent. 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

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 APP 1/4885NPC1 48/4885RAB9A 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.