SCHEMBL960449

SCHEMBL960449

CC(=O)c1cccc(Oc2cccc(-c3cccc(C(=O)NCCC#N)c3)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 1/20 0.45
LOXL2 Q9Y4K0 4/20 0.43
LOX P28300 2/20 0.43
GPR52 Q9Y2T5 2/20 0.42
FYN P06241 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
GUSB P08236 1/20 0.40
GRM5 P41594 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAP4K4 O95819 2/20 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
SCHEMBL961353 0.91 MAPT (0.48) PRKD1LOXL2LOXFYNMEN1
SCHEMBL961007 0.89 GPR52 (0.47) PRKD1LOXL2LOXGPR52FYN
SCHEMBL958148 0.89 FYN (0.42) PRKD1LOXL2LOXGPR52FYN
SCHEMBL12918976 0.87 GPR52 (0.56) LOXL2LOXGPR52L3MBTL1CTSS
SCHEMBL962211 0.86 GPR52 (0.48) PRKD1GPR52FYNL3MBTL1MAPT
SCHEMBL964557 0.86 GPR52 (0.50) PRKD1LOXL2GPR52FYNL3MBTL1
SCHEMBL961343 0.84 PRKD1 (0.42) PRKD1LOXL2GPR52FYNCTSS
SCHEMBL958003 0.84 PPARG (0.45) PRKD1LOXL2LOXGPR52FYN
SCHEMBL963876 0.83 GPR52 (0.45) PRKD1GPR52FYNGRM5NR1H2
SCHEMBL958850 0.82 PPARG (0.43) PRKD1GPR52MAPTNR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
EP-2253618-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP disclosed
EP-2253618-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP 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-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING GPR4, NR3C2, NR5A2 PRKD1 4545/4885LOXL2 1309/4885LOX 1544/4885

“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.