SCHEMBL4921911

SCHEMBL4921911

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 13/20 0.41
NPC1 O15118 6/20 0.37
RAB9A P51151 6/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
NFKB1 P19838 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 2/20 0.37
PKM P14618 1/20 0.37
ALDH1A3 P47895 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.35
MITF O75030 1/20 0.35
KDM5A P29375 1/20 0.35
KDM5C P41229 1/20 0.35
KMT2A Q03164 1/20 0.35
PAX8 Q06710 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
SCHEMBL4919932 0.85 APP (0.42) APPNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1665690 0.80 NPC1 (0.56) APPNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL22614984 0.79 NPC1 (0.57) APPNPC1RAB9ASMN1; SMN2KDM4E
Bromide SCHEMBL1691891 0.78 NPC1 (0.56) APPNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2544254 0.77 RAB9A (0.47) APPNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1395044 0.77 DRD2 (0.49) APPNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4925111 0.76 NPC1 (0.38) APPNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3108835 0.76 NPC1 (0.54) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL1743706 0.75 DYRK1A (0.54) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL19327435 0.74 HDAC6 (0.52) NPC1RAB9AKDM4EALDH1A1MEN1

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.