SCHEMBL958112

SCHEMBL958112

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 2/20 0.48
FYN P06241 1/20 0.47
PTGDR Q13258 1/20 0.46
CNR1 P21554 5/20 0.46
MAP4K4 O95819 1/20 0.46
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.43
GPR39 O43194 1/20 0.42
KMT2A Q03164 1/20 0.42
GCG P01275 1/20 0.42
GCGR P47871 1/20 0.42
EPHX2 P34913 2/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
KDR P35968 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
SCHEMBL3406869 0.88 CNR1 (0.46) GPR52FYNPTGDRCNR1MAP4K4
SCHEMBL960125 0.85 PTGDR (0.57) PTGDRCNR1LMNAGPR39KMT2A
SCHEMBL959317 0.84 GPR52 (0.52) GPR52FYNCNR1MAP4K4KMT2A
SCHEMBL961208 0.80 CNR1 (0.49) PTGDRCNR1LMNAGPR39KMT2A
SCHEMBL1513331 0.78 FYN (0.48) GPR52FYNPTGDRMAP4K4LMNA
SCHEMBL960678 0.78 CNR1 (0.50) GPR52FYNPTGDRCNR1MAP4K4
SCHEMBL960460 0.77 FYN (0.50) GPR52FYNMAP4K4KMT2APOLB
SCHEMBL1513123 0.76 FYN (0.46) GPR52FYNPTGDRMAP4K4
SCHEMBL1513274 0.75 FYN (0.49) GPR52FYNPTGDRMAP4K4TSHR
SCHEMBL1513288 0.74 FYN (0.43) GPR52FYNPTGDRCNR1KMT2A

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 23/4885FYN 1882/4885PTGDR 528/4885

“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.