SCHEMBL1853574

SCHEMBL1853574

CCOC(=O)c1cccc(-c2cccc3nn(Cc4cc(F)cc(Cl)c4)cc23)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 2/20 0.48
JMJD6 Q6NYC1 2/20 0.41
KLKB1 P03952 1/20 0.40
TP53 P04637 1/20 0.40
GRM2 Q14416 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PRKDC P78527 1/20 0.38
AGTR1 P30556 1/20 0.37
ELANE P08246 1/20 0.37

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
SCHEMBL1850163 0.95 GPR52 (0.45) GPR52JMJD6KLKB1TP53GRM2
SCHEMBL1849364 0.90 GPR52 (0.51) GPR52JMJD6GRM2ALDH1A1SMN1; SMN2
SCHEMBL1852588 0.89 GPR52 (0.53) GPR52JMJD6KLKB1TP53NPC1
SCHEMBL3215484 0.89 GPR52 (0.55) GPR52JMJD6KLKB1TP53GRM2
SCHEMBL3217768 0.88 GPR52 (0.50) GPR52JMJD6KLKB1TP53GRM2
SCHEMBL1848441 0.87 GPR52 (0.50) GPR52NPC1RAB9ASMN1; SMN2
SCHEMBL1856096 0.87 GPR52 (0.54) GPR52JMJD6NPC1ALDH1A1MAPT
SCHEMBL1851052 0.87 GPR52 (0.58) GPR52KLKB1MAPTSMN1; SMN2
SCHEMBL1849196 0.86 GPR52 (0.52) GPR52JMJD6KLKB1GRM2ALDH1A1
SCHEMBL1854994 0.86 GPR52 (0.52) GPR52JMJD6KLKB1TP53GRM2

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 GPR52 1/4885JMJD6 3726/4885KLKB1 4616/4885

“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.