SCHEMBL13348677

SCHEMBL13348677

Oc1cccc2ncc(CNCS)nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.44
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PDE10A Q9Y233 2/20 0.40
NQO2 P16083 1/20 0.36
KDM4E B2RXH2 7/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
GFER P55789 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MMP2 P08253 1/20 0.34
CHRM1 P11229 1/20 0.34
TSHR P16473 1/20 0.34
COMT P21964 1/20 0.34

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
SCHEMBL13439500 0.87 ACHE (0.46) ACHEALDH1A1RAB9AGAAMAPT
SCHEMBL13271204 0.82 ACHE (0.47) ACHEALDH1A1RAB9AGAAMAPT
SCHEMBL3266171 0.82 ACHE (0.41) ACHEALDH1A1RAB9AGAAMAPT
SCHEMBL13439508 0.79 ACHE (0.41) ACHEALDH1A1RAB9AGAAMAPT
SCHEMBL13348662 0.77 ACHE (0.42) ACHEALDH1A1RAB9AGAAMAPT
SCHEMBL13313299 0.76 ACHE (0.52) ACHEALDH1A1RAB9AGAAMAPT
SCHEMBL13271193 0.76 ACHE (0.52) ACHEALDH1A1RAB9AGAAMAPT
SCHEMBL4268776 0.68 HCAR2 (0.41) ACHEHCAR2DHFR
SCHEMBL1041134 0.67 ACHE (0.57) ACHEALDH1A1RAB9AGAAMAPT
SCHEMBL1042567 0.67 ACHE (0.57) ACHEALDH1A1RAB9AGAAMAPT

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-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LIMITED (AU) 2010-06-24 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-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS ACHE, PSEN1, PSEN2 ACHE 1/4885ALDH1A1 703/4885RAB9A 684/4885

“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.