SCHEMBL3206903

SCHEMBL3206903

O=C(O)c1cccc(-c2cccc3sc(Cc4cccc(C(F)(F)F)c4)nc23)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 14/20 0.51
LIPG Q9Y5X9 1/20 0.49
NR4A2 P43354 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CNR2 P34972 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43

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
SCHEMBL1851539 0.94 GPR52 (0.47) GPR52LIPGNR4A2ALDH1A1KDM4E
SCHEMBL1858465 0.85 GPR52 (0.68) GPR52CNR2MRGPRX4
SCHEMBL3208673 0.84 GPR52 (0.52) GPR52LIPGNR4A2ALDH1A1KDM4E
SCHEMBL1852770 0.81 GPR52 (0.74) GPR52LIPGNR4A2ALDH1A1KDM4E
SCHEMBL30370117 0.79 GPR52 (0.54) GPR52LIPGNR4A2ALDH1A1KDM4E
SCHEMBL29016605 0.79 GPR52 (0.54) GPR52LIPGNR4A2ALDH1A1KDM4E
SCHEMBL1855792 0.79 GPR52 (0.51) GPR52NR4A2ALDH1A1KDM4EMEN1
SCHEMBL1853402 0.78 GPR52 (0.75) GPR52NR4A2
SCHEMBL1851314 0.77 ACSL1 (0.47) GPR52NR4A2ALDH1A1KDM4EMEN1
SCHEMBL1854736 0.76 GPR52 (0.68) GPR52LIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885LIPG 4574/4885NR4A2 8/4885

“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.