SCHEMBL1850808

SCHEMBL1850808

O=C(O)c1cccc(-c2cccc3nn(Cc4cccc(Cl)c4)cc23)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.55
POLB P06746 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ADORA3 P0DMS8 2/20 0.48
ADORA2B P29275 1/20 0.48
PTGER4 P35408 3/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADORA2A P29274 1/20 0.46
PTGER1 P34995 4/20 0.45
CYP2C9 P11712 1/20 0.45
HTT P42858 1/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
NR4A2 P43354 1/20 0.42
EIF4EBP1 Q13541 1/20 0.42
KDM4C Q9H3R0 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL3211059 0.92 GPR52 (0.57) GPR52POLBTDP1L3MBTL1ADORA3
SCHEMBL1853937 0.90 GPR52 (0.72) GPR52POLBTDP1L3MBTL1ADORA3
SCHEMBL1848441 0.88 GPR52 (0.50) GPR52POLBTDP1L3MBTL1ADORA3
SCHEMBL1854577 0.88 GPR52 (0.52) GPR52POLBTDP1L3MBTL1ADORA3
SCHEMBL1849911 0.87 GPR52 (0.58) GPR52POLBTDP1L3MBTL1PTGER4
SCHEMBL1852543 0.86 GPR52 (0.54) GPR52POLBTDP1L3MBTL1PTGER4
SCHEMBL1852588 0.86 GPR52 (0.53) GPR52ADORA3ADORA2BNPC1RAB9A
SCHEMBL1850248 0.86 GPR52 (0.54) GPR52POLBTDP1L3MBTL1ADORA3
SCHEMBL3207084 0.85 GPR52 (0.76) GPR52ADORA3ADORA2BPTGER4NPC1
SCHEMBL1853272 0.85 GPR52 (0.53) GPR52PTGER4MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2323978-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-05-25 EP disclosed
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 1/4885POLB 4067/4885TDP1 4268/4885

“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.