SCHEMBL962209

SCHEMBL962209

N#CCCNC(=O)c1cccc(-c2cccc(Oc3ccc(F)cc3F)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 2/20 0.46
FFAR4 Q5NUL3 1/20 0.42
PRKD1 Q15139 1/20 0.41
KISS1R Q969F8 4/20 0.41
MET P08581 1/20 0.40
BRD4 O60885 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.38
MAP4K4 O95819 1/20 0.38
MCHR1 Q99705 1/20 0.37
CTSL P07711 1/20 0.37
ULK1 O75385 1/20 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 0.85 GPR52 (0.45) GPR52FFAR4PRKD1KISS1RKDM4E
SCHEMBL958850 0.83 PPARG (0.43) GPR52PRKD1KISS1RKDM4EMAPT
SCHEMBL963502 0.81 GPR52 (0.46) GPR52PRKD1KDM4EMAPTMAP4K4
SCHEMBL964557 0.80 GPR52 (0.50) GPR52PRKD1MAPTMAP4K4
SCHEMBL962211 0.80 GPR52 (0.48) GPR52PRKD1MAPTMAP4K4
SCHEMBL960449 0.80 PRKD1 (0.45) GPR52PRKD1MAPTMAP4K4
SCHEMBL961663 0.80 GPR52 (0.64) GPR52PRKD1KISS1RMAPTMAP4K4
SCHEMBL959528 0.79 GPR52 (0.45) GPR52MAP4K4
SCHEMBL961007 0.79 GPR52 (0.47) GPR52PRKD1
SCHEMBL961353 0.79 MAPT (0.48) PRKD1MAPTMCHR1

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 23/4885FFAR4 233/4885PRKD1 4545/4885

“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.