SCHEMBL3215484

SCHEMBL3215484

CCOC(=O)c1cccc(-c2cccc3nn(Cc4cccc(F)c4)cc23)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.55
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
ELANE P08246 1/20 0.43
GRM2 Q14416 2/20 0.42
JMJD6 Q6NYC1 1/20 0.42
HPGD P15428 1/20 0.41
THRB P10828 1/20 0.41
KLKB1 P03952 1/20 0.40
LMNA P02545 2/20 0.40
GLA P06280 1/20 0.40
S1PR3 Q99500 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL1854994 0.96 GPR52 (0.52) GPR52TP53SMN1; SMN2NPC1ALDH1A1
SCHEMBL1849622 0.95 GPR52 (0.51) GPR52TP53SMN1; SMN2NPC1ALDH1A1
SCHEMBL1849364 0.91 GPR52 (0.51) GPR52SMN1; SMN2ALDH1A1ELANEGRM2
SCHEMBL1856096 0.90 GPR52 (0.54) GPR52SMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL1849196 0.90 GPR52 (0.52) GPR52SMN1; SMN2ALDH1A1GRM2JMJD6
SCHEMBL1853574 0.89 GPR52 (0.48) GPR52TP53SMN1; SMN2NPC1ALDH1A1
SCHEMBL1851194 0.89 GPR52 (0.70) GPR52SMN1; SMN2ALDH1A1MAPTGRM2
SCHEMBL1852588 0.89 GPR52 (0.53) GPR52TP53SMN1; SMN2NPC1ALDH1A1
SCHEMBL1850607 0.88 GPR52 (0.52) GPR52TP53SMN1; SMN2ALDH1A1MAPT
SCHEMBL1851680 0.88 GPR52 (0.51) GPR52SMN1; SMN2NPC1ALDH1A1MAPT

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 1/4885TP53 3403/4885SMN1; SMN2 4263/4885

“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.