SCHEMBL3211059

SCHEMBL3211059

O=C(O)c1cccc(-c2cccc3nn(Cc4ccccc4)cc23)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.57
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PTGER1 P34995 3/20 0.46
ADORA3 P0DMS8 4/20 0.46
ADORA2B P29275 2/20 0.46
ADORA2A P29274 2/20 0.46
ADORA1 P30542 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL1850808 0.92 GPR52 (0.55) GPR52NPC1RAB9ASMN1; SMN2POLB
SCHEMBL1850248 0.91 GPR52 (0.54) GPR52NPC1RAB9ASMN1; SMN2POLB
SCHEMBL1849911 0.90 GPR52 (0.58) GPR52NPC1RAB9ASMN1; SMN2POLB
SCHEMBL1851680 0.90 GPR52 (0.51) GPR52NPC1RAB9ASMN1; SMN2POLB
SCHEMBL1853272 0.87 GPR52 (0.53) GPR52KMT2A
SCHEMBL3221864 0.87 GPR52 (0.75) GPR52NPC1RAB9ASMN1; SMN2POLB
SCHEMBL1852543 0.87 GPR52 (0.54) GPR52NPC1RAB9ASMN1; SMN2POLB
SCHEMBL1854577 0.86 GPR52 (0.52) GPR52NPC1RAB9ASMN1; SMN2POLB
SCHEMBL1848441 0.86 GPR52 (0.50) GPR52NPC1RAB9ASMN1; SMN2POLB
SCHEMBL1856096 0.86 GPR52 (0.54) GPR52NPC1RAB9ASMN1; SMN2POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 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-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 GPR52 1/4885NPC1 2479/4885RAB9A 2891/4885

“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.