SCHEMBL1856086

SCHEMBL1856086

CCOC(=O)c1ccnc(-c2cccc3cc(COc4cccc(C(F)(F)F)c4)sc23)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
MAPT P10636 2/20 0.42
GPR52 Q9Y2T5 4/20 0.41
MAOB P27338 2/20 0.41
SYK P43405 1/20 0.40
JMJD6 Q6NYC1 4/20 0.40
KDM4E B2RXH2 1/20 0.40
NR4A2 P43354 1/20 0.40
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CNR2 P34972 1/20 0.39
XBP1 P17861 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL1850820 0.89 MRGPRX4 (0.54) MRGPRX4GPR52MAOBNR4A2
SCHEMBL1849808 0.89 GPR52 (0.53) MEN1KMT2ANPC1RAB9AMRGPRX4
SCHEMBL3213544 0.86 GPR52 (0.46) MEN1KMT2ANPC1RAB9AMRGPRX4
SCHEMBL3219557 0.84 GPR52 (0.61) MRGPRX4MAPTGPR52ALDH1A1
SCHEMBL1851849 0.83 GPR52 (0.59) NPC1RAB9AMRGPRX4MAPTGPR52
SCHEMBL1849407 0.83 GPR52 (0.45) MEN1KMT2ANPC1RAB9AMRGPRX4
SCHEMBL1851564 0.82 MAOB (0.46) MEN1KMT2ANPC1RAB9AMRGPRX4
SCHEMBL1854703 0.82 MAPT (0.45) MEN1KMT2ANPC1RAB9AMRGPRX4
SCHEMBL1852262 0.81 GPR52 (0.49) MEN1KMT2ANPC1RAB9AMRGPRX4
SCHEMBL3210823 0.79 GPR52 (0.61) MRGPRX4GPR52

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 MEN1 4760/4885KMT2A 941/4885NPC1 2479/4885

“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.