SCHEMBL962211

SCHEMBL962211

N#CCCNC(=O)c1cccc(-c2cccc(Oc3ccc(Cl)cc3)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 2/20 0.48
PRKD1 Q15139 1/20 0.43
GRM5 P41594 5/20 0.43
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
CNR1 P21554 1/20 0.41
SNCA P37840 1/20 0.41
DRD4 P21917 1/20 0.39
MAP4K4 O95819 1/20 0.39
FYN P06241 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BCL2L1 Q07817 1/20 0.38
MCL1 Q07820 1/20 0.38

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
SCHEMBL964557 0.92 GPR52 (0.50) GPR52PRKD1GRM5MAPTTP53
SCHEMBL961007 0.91 GPR52 (0.47) GPR52PRKD1GRM5SNCAFYN
SCHEMBL963876 0.89 GPR52 (0.45) GPR52PRKD1GRM5FYNNR1H2
SCHEMBL963502 0.87 GPR52 (0.46) GPR52PRKD1MAPTTP53CNR1
SCHEMBL960449 0.86 PRKD1 (0.45) GPR52PRKD1GRM5MAPTMAP4K4
SCHEMBL961353 0.85 MAPT (0.48) PRKD1MAPTTP53SNCAFYN
SCHEMBL959544 0.85 GPR52 (0.45) GPR52PRKD1MAPTMAP4K4NPC1
SCHEMBL961343 0.84 PRKD1 (0.42) GPR52PRKD1SNCAMAP4K4FYN
SCHEMBL958003 0.84 PPARG (0.45) GPR52PRKD1MAPTMAP4K4FYN
SCHEMBL12918976 0.83 GPR52 (0.56) GPR52MAPTL3MBTL1ALDH1A1POLB

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 GPR52 23/4885PRKD1 4545/4885GRM5 72/4885

“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.