SCHEMBL962006

SCHEMBL962006

O=C(NCCO)c1cc(-c2cccc(Oc3ccc(Cl)cc3Cl)n2)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 2/20 0.48
SCN9A Q15858 2/20 0.41
FFAR4 Q5NUL3 1/20 0.40
ALPL P05186 1/20 0.39
ALPG P10696 1/20 0.39
MTOR P42345 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CNR1 P21554 3/20 0.39
CNR2 P34972 1/20 0.38
P2RX7 Q99572 2/20 0.38
PNLIP P16233 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
ACVR1B P36896 1/20 0.37
TGFBR1 P36897 1/20 0.37
ACVRL1 P37023 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
SCHEMBL960377 0.89 P2RX7 (0.40) GPR52SCN9AFFAR4KMT2AMEN1
SCHEMBL961250 0.88 GPR52 (0.56) GPR52SCN9AFFAR4ALPLALPG
SCHEMBL957949 0.85 GPR52 (0.44) GPR52ALPLALPGKMT2ACNR1
SCHEMBL959429 0.84 MRGPRX4 (0.49) SCN9AFFAR4MRGPRX4
SCHEMBL961939 0.83 GPR52 (0.48) GPR52ALPLALPGKMT2AMRGPRX4
SCHEMBL958289 0.83 KDR (0.50) GPR52ALPLALPGKMT2AMEN1
SCHEMBL959117 0.81 MAPT (0.49) SCN9AFFAR4TDP1MRGPRX4
SCHEMBL959528 0.78 GPR52 (0.45) GPR52SCN9AMRGPRX4
SCHEMBL956572 0.77 GPR52 (0.48) GPR52CNR1MRGPRX4
SCHEMBL958269 0.77 GPR52 (0.43) GPR52ALPLALPGKMT2AMEN1

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 4 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

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 23/4885SCN9A 1152/4885FFAR4 233/4885

“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.