SCHEMBL960125

SCHEMBL960125

O=C(O)c1cccc(-c2cccc(NCc3ccc(Cl)cc3Cl)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 2/20 0.57
CNR1 P21554 8/20 0.49
MRGPRX4 Q96LA9 2/20 0.48
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48
GPR39 O43194 1/20 0.47
CNR2 P34972 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CD38 P28907 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL958112 0.85 GPR52 (0.48) PTGDRCNR1GPR39LMNAPOLB
SCHEMBL961208 0.85 CNR1 (0.49) PTGDRCNR1GPR39NPSR1CD38
SCHEMBL962004 0.80 MRGPRX4 (0.51) PTGDRCNR1MRGPRX4CNR2RXRA
SCHEMBL958209 0.77 NR4A2 (0.63) PTGDRMRGPRX4NR4A1NR4A2NR4A3
SCHEMBL13778065 0.77 PTGDR (0.50) PTGDRMRGPRX4NR4A1NR4A2NR4A3
SCHEMBL963457 0.76 PTGDR (0.54) PTGDRMRGPRX4NR4A1NR4A2NR4A3
SCHEMBL3406869 0.75 CNR1 (0.46) PTGDRCNR1GPR39LMNA
SCHEMBL1513238 0.74 PTGDR (0.49) PTGDRMRGPRX4NR4A1NR4A2NR4A3
SCHEMBL4489710 0.73 PTGDR (1.00) PTGDR
SCHEMBL1513333 0.72 PTGDR (0.48) PTGDRMRGPRX4NR4A1NR4A2NR4A3

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 2 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
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 PTGDR 528/4885CNR1 63/4885MRGPRX4 133/4885

“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.