SCHEMBL6134112

SCHEMBL6134112

COc1ccc(CC(=O)c2cccc(Br)c2)nn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
ALDH1A1 P00352 3/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MGAM O43451 1/20 0.41
AMY1A P0DUB6 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
HPGD P15428 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PARP1 P09874 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL6134053 0.85 CES2 (0.51) NPC1RAB9AALDH1A1LMNARXFP1
SCHEMBL6134193 0.85 CTNNB1 (0.50) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL6133377 0.84 NPC1 (0.44) NPC1RAB9AALDH1A1LMNAMEN1
SCHEMBL6133870 0.83 GSK3B (0.43) NPC1RAB9AALDH1A1LMNAMEN1
SCHEMBL6134151 0.83 NNMT (0.45) NPC1RAB9AALDH1A1LMNAMEN1
SCHEMBL6134073 0.78 PDE4D (0.45) ALDH1A1MGAMAMY1AGAASI
SCHEMBL6133689 0.78 PDE4D (0.54) NPC1ALDH1A1LMNAMEN1KMT2A
SCHEMBL6133549 0.77 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AGAAL3MBTL1
SCHEMBL6135277 0.77 CES2 (0.41) NPC1RAB9AALDH1A1LMNAMEN1
SCHEMBL6133524 0.76 NNMT (0.41) NPC1RAB9AALDH1A1LMNAMEN1

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 1824/4885ALDH1A1 801/4885

“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.