SCHEMBL1854577

SCHEMBL1854577

O=C(O)c1cccc(-c2cccc3nn(Cc4ccc(F)c(Cl)c4)cc23)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.52
PTGER4 P35408 5/20 0.50
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PRKAG1 P54619 2/20 0.43
PRKAA2 P54646 2/20 0.43
PRKAB1 Q9Y478 2/20 0.43
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CCR2 P41597 1/20 0.40
EIF4EBP1 Q13541 2/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2B P29275 1/20 0.40
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39

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
SCHEMBL1851300 0.91 GPR52 (0.47) GPR52PTGER4POLBTDP1L3MBTL1
SCHEMBL1852543 0.91 GPR52 (0.54) GPR52PTGER4POLBTDP1L3MBTL1
SCHEMBL1850248 0.89 GPR52 (0.54) GPR52PTGER4POLBTDP1L3MBTL1
SCHEMBL1850808 0.88 GPR52 (0.55) GPR52PTGER4POLBTDP1L3MBTL1
SCHEMBL3217768 0.87 GPR52 (0.50) GPR52PTGER4
SCHEMBL3211059 0.86 GPR52 (0.57) GPR52POLBTDP1L3MBTL1NPC1
SCHEMBL1850562 0.86 GPR52 (0.72) GPR52PTGER4ADORA3ADORA2B
SCHEMBL1848441 0.86 GPR52 (0.50) GPR52PTGER4POLBTDP1L3MBTL1
SCHEMBL1849911 0.86 GPR52 (0.58) GPR52PTGER4POLBTDP1L3MBTL1
SCHEMBL1851340 0.84 GPR52 (0.59) GPR52PTGER4ADORA3ADORA2B

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 1/4885PTGER4 888/4885POLB 4067/4885

“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.