SCHEMBL963502

SCHEMBL963502

N#CCCNC(=O)c1cccc(-c2cccc(Oc3cc(Cl)ccc3Cl)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 2/20 0.46
TP53 P04637 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PRKD1 Q15139 1/20 0.41
MAPT P10636 5/20 0.39
MCHR1 Q99705 2/20 0.38
ABL1 P00519 1/20 0.38
CNR1 P21554 1/20 0.38
MAP4K4 O95819 1/20 0.38
SNCA P37840 1/20 0.37
FYN P06241 1/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 2/20 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
SCHEMBL959544 0.90 GPR52 (0.45) GPR52NPC1RAB9ASMN1; SMN2PRKD1
SCHEMBL962211 0.87 GPR52 (0.48) GPR52TP53NPC1RAB9ASMN1; SMN2
SCHEMBL961007 0.87 GPR52 (0.47) GPR52PRKD1SNCAFYNNR1H2
SCHEMBL964557 0.85 GPR52 (0.50) GPR52TP53PRKD1MAPTCNR1
SCHEMBL962542 0.84 KDR (0.43) GPR52NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL959528 0.83 GPR52 (0.45) GPR52ALDH1A1MAP4K4
SCHEMBL960594 0.83 CTSL (0.44) GPR52NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL963876 0.82 GPR52 (0.45) GPR52PRKD1FYNNR1H2NR1H3
SCHEMBL962209 0.81 GPR52 (0.46) GPR52PRKD1MAPTMCHR1MAP4K4
SCHEMBL958850 0.81 PPARG (0.43) GPR52TP53SMN1; SMN2ALDH1A1PRKD1

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 23/4885TP53 4432/4885NPC1 2153/4885

“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.