SCHEMBL3208673

SCHEMBL3208673

O=C(O)c1cccc(-c2cccc3nc(Cc4cccc(C(F)(F)F)c4)sc23)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 15/20 0.52
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
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
SCHEMBL1854736 0.91 GPR52 (0.68) GPR52LIPG
SCHEMBL1851926 0.88 GPR52 (0.51) GPR52ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3221109 0.86 GPR52 (0.72) GPR52
SCHEMBL3264838 0.85 GPR52 (0.73) GPR52MRGPRX4
SCHEMBL3206903 0.84 GPR52 (0.51) GPR52LIPGNR4A2ALDH1A1KDM4E
SCHEMBL1854734 0.84 GPR52 (0.49) GPR52
SCHEMBL3210006 0.84 GPR52 (0.73) GPR52MRGPRX4
SCHEMBL1854731 0.83 GPR52 (0.63) GPR52
SCHEMBL1853402 0.82 GPR52 (0.75) GPR52NR4A2
SCHEMBL1849738 0.80 GPR52 (0.55) GPR52LIPGNR4A2ALDH1A1KDM4E

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.