SCHEMBL1850678

SCHEMBL1850678

NC(=O)c1cccc(-c2cccc3cc(COc4cccc(C(F)(F)F)c4)sc23)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 4/20 0.56
S1PR4 O95977 2/20 0.50
S1PR5 Q9H228 2/20 0.50
MAOB P27338 2/20 0.46
MRGPRX4 Q96LA9 2/20 0.46
MCL1 Q07820 1/20 0.46
NR4A2 P43354 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL1850062 0.91 MRGPRX4 (0.57) GPR52S1PR4S1PR5MAOBMRGPRX4
SCHEMBL3217505 0.91 MAOB (0.52) GPR52S1PR4S1PR5MAOBMRGPRX4
SCHEMBL3219750 0.89 GPR52 (0.74) GPR52S1PR4S1PR5MRGPRX4MCL1
SCHEMBL1849808 0.88 GPR52 (0.53) GPR52S1PR4S1PR5MAOBMRGPRX4
SCHEMBL3212807 0.86 GPR52 (0.74) GPR52S1PR4S1PR5MRGPRX4
SCHEMBL1851564 0.85 MAOB (0.46) GPR52S1PR4S1PR5MAOBMRGPRX4
SCHEMBL3222989 0.84 GPR52 (0.76) GPR52S1PR4S1PR5MRGPRX4
SCHEMBL1852567 0.83 GPR52 (0.78) GPR52S1PR4S1PR5
SCHEMBL1850131 0.83 MRGPRX4 (0.49) GPR52S1PR4S1PR5MAOBMRGPRX4
SCHEMBL3223155 0.82 GPR52 (0.63) GPR52S1PR4S1PR5MAOBMRGPRX4

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 9 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 claimed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO claimed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 US claimed
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
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
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 US 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 1/4885S1PR4 565/4885S1PR5 696/4885

“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.