SCHEMBL6133746

SCHEMBL6133746

COc1ccc(CC(=O)c2ccccc2C)nn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
NNMT P40261 1/20 0.41
CTNNB1 P35222 4/20 0.41
WNT3A P56704 4/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.36
MAOB P27338 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL6133505 0.85 NPC1 (0.50) NPC1RAB9AKMT2AL3MBTL1NNMT
SCHEMBL6134086 0.84 ALDH1A1 (0.41) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL6134928 0.84 NNMT (0.42) NPC1RAB9AMEN1KMT2ANNMT
SCHEMBL6134151 0.80 NNMT (0.45) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL5799347 0.76 NPC1 (0.48) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL6134262 0.75 NNMT (0.42) NPC1RAB9AMEN1KMT2ANNMT
SCHEMBL6134635 0.75 SMN1; SMN2 (0.44) MEN1KMT2AFEN1NNMTALDH1A1
SCHEMBL6134193 0.74 CTNNB1 (0.50) NPC1RAB9AMEN1KMT2ANNMT
SCHEMBL6134121 0.73 NNMT (0.44) NPC1RAB9AKMT2AL3MBTL1NNMT
SCHEMBL6133543 0.73 NPC1 (0.54) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2

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-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ASTELLAS PHARMA INC. (JP) 2005-02-24 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-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ADORA2B, ADORA2A, ADORA1 NPC1 4182/4885RAB9A 1824/4885MEN1 4671/4885

“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.