SCHEMBL959544

SCHEMBL959544

N#CCCNC(=O)c1cccc(-c2cccc(Oc3ccccc3Cl)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 2/20 0.45
PRKD1 Q15139 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
SCD O00767 1/20 0.39
MAP4K4 O95819 1/20 0.39
KISS1R Q969F8 1/20 0.39
MCHR1 Q99705 2/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
FFAR4 Q5NUL3 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
SCHEMBL963502 0.90 GPR52 (0.46) GPR52PRKD1MEN1KMT2ANPC1
SCHEMBL964557 0.85 GPR52 (0.50) GPR52PRKD1MAPTNR1H2NR1H3
SCHEMBL962211 0.85 GPR52 (0.48) GPR52PRKD1NPC1MAPTRAB9A
SCHEMBL962209 0.85 GPR52 (0.46) GPR52PRKD1MAPTMAP4K4KISS1R
SCHEMBL961007 0.84 GPR52 (0.47) GPR52PRKD1NR1H2NR1H3
SCHEMBL958850 0.83 PPARG (0.43) GPR52PRKD1MAPTSMN1; SMN2NR1H2
SCHEMBL963876 0.82 GPR52 (0.45) GPR52PRKD1NR1H2NR1H3
SCHEMBL962542 0.82 KDR (0.43) GPR52MEN1KMT2ANPC1RAB9A
SCHEMBL960449 0.81 PRKD1 (0.45) GPR52PRKD1MEN1KMT2AMAPT
SCHEMBL959528 0.81 GPR52 (0.45) GPR52MAP4K4

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 4545/4885MEN1 4161/4885

“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.