SCHEMBL1852563

SCHEMBL1852563

O=C(O)c1cccc(-c2cccc3cc(OCc4cccc(C(F)(F)F)c4)nn23)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.56
MRGPRX4 Q96LA9 8/20 0.53
EGLN1 Q9GZT9 1/20 0.46
MAOB P27338 3/20 0.45
PTGER1 P34995 1/20 0.45
KDM4C Q9H3R0 1/20 0.44
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
PDGFRA P16234 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR5 Q9H228 1/20 0.42

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
Water SCHEMBL1854716 0.98 NR4A2 (0.54) NR4A2MRGPRX4EGLN1MAOBPTGER1
Water SCHEMBL1854715 0.98 NR4A2 (0.54) NR4A2MRGPRX4EGLN1MAOBPTGER1
SCHEMBL1854941 0.89 BRAF (0.46) NR4A2MRGPRX4MAOB
SCHEMBL3208707 0.87 GPR52 (0.57) MRGPRX4
SCHEMBL1851648 0.74 BRAF (0.50) NR4A2MRGPRX4KDM4C
SCHEMBL3042303 0.72 MRGPRX4 (0.74) NR4A2MRGPRX4EGLN1MAOBFFAR1
SCHEMBL22480781 0.71 MRGPRX4 (1.00) NR4A2MRGPRX4MAOB
SCHEMBL31568544 0.70 MRGPRX4 (1.00) NR4A2MRGPRX4
SCHEMBL22469939 0.70 MRGPRX4 (1.00) NR4A2MRGPRX4
SCHEMBL14014028 0.69 NR4A2 (1.00) NR4A2MRGPRX4MAOBFFAR1FFAR4

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 NR4A2 8/4885MRGPRX4 287/4885EGLN1 4055/4885

“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.