SCHEMBL5128967

SCHEMBL5128967

CCCCc1nc2ccc(C)cn2c(=O)c1-c1ccc(N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.43
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MERTK Q12866 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
USP30 Q70CQ3 4/20 0.38
HDAC4 P56524 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37
ALOX5 P09917 1/20 0.37
PIK3CD O00329 1/20 0.37
ENPP2 Q13822 1/20 0.36

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
SCHEMBL5128963 1.00 MET (0.43) METALDH1A1NPC1MAPTMAPK1
SCHEMBL5132205 0.92 MET (0.44) METALDH1A1NPC1MAPTMAPK1
SCHEMBL5131458 0.92 MET (0.44) METALDH1A1NPC1MAPTMAPK1
SCHEMBL3962925 0.89 KDM4E (0.36) ALDH1A1ALOX5
SCHEMBL3955479 0.89 KCNK3 (0.42) METALDH1A1NPC1MAPTMAPK1
SCHEMBL3955483 0.89 KCNK3 (0.42) METALDH1A1NPC1MAPTMAPK1
SCHEMBL5131691 0.89 KCNK3 (0.42) METALDH1A1NPC1MAPTMAPK1
SCHEMBL3965651 0.84 GFER (0.45) METALDH1A1MAPTUSP30HDAC4
SCHEMBL3963510 0.84 GFER (0.45) METALDH1A1MAPTUSP30HDAC4
SCHEMBL5132406 0.84 SCN9A (0.41) METALDH1A1NPC1MAPTMAPK1

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-20080194616-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-14 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-20080194616-A1 PYRIDOPYRIMIDINONE COMPOUNDS USEFUL IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS SCN1A, SCN3A, SCN1B MET 4091/4885ALDH1A1 1009/4885NPC1 432/4885

“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.