SCHEMBL1850248

SCHEMBL1850248

O=C(O)c1cccc(-c2cccc3nn(Cc4ccc(F)cc4)cc23)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.54
PTGER4 P35408 6/20 0.50
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4A O75164 1/20 0.43
KDM5A P29375 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NR4A2 P43354 1/20 0.41
MAP2K4 P45985 1/20 0.41
PTGER1 P34995 1/20 0.41
ADORA3 P0DMS8 2/20 0.41
ADORA2B P29275 2/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 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 0.91 GPR52 (0.57) GPR52NPC1RAB9ASMN1; SMN2POLB
SCHEMBL1849911 0.90 GPR52 (0.58) GPR52PTGER4NPC1RAB9ASMN1; SMN2
SCHEMBL1852548 0.90 GPR52 (0.70) GPR52PTGER4HDAC6ADORA3ADORA2B
SCHEMBL1852543 0.89 GPR52 (0.54) GPR52PTGER4NPC1RAB9ASMN1; SMN2
SCHEMBL1854577 0.89 GPR52 (0.52) GPR52PTGER4NPC1RAB9ASMN1; SMN2
SCHEMBL1848441 0.89 GPR52 (0.50) GPR52PTGER4NPC1RAB9ASMN1; SMN2
SCHEMBL1850808 0.86 GPR52 (0.55) GPR52PTGER4NPC1RAB9ASMN1; SMN2
SCHEMBL1849364 0.86 GPR52 (0.51) GPR52SMN1; SMN2
SCHEMBL3217594 0.85 GPR52 (0.75) GPR52PTGER4ADORA3ADORA2B
SCHEMBL1852565 0.84 GPR52 (0.49) GPR52PTGER4NPC1RAB9ASMN1; 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 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 888/4885NPC1 2479/4885

“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.