SCHEMBL960460

SCHEMBL960460

O=C(NCCO)c1cccc(-c2cccc(Sc3ccc(Cl)cc3Cl)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FYN P06241 7/20 0.50
GPR52 Q9Y2T5 2/20 0.49
MAP4K4 O95819 1/20 0.48
ITGB2 P05107 3/20 0.46
ICAM1 P05362 3/20 0.46
ITGAL P20701 3/20 0.46
POLB P06746 2/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
ALPL P05186 1/20 0.42
ALPG P10696 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CAMK2D Q13557 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
RHEB Q15382 1/20 0.39

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
SCHEMBL961573 0.88 PRKD1 (0.41) FYNGPR52MAP4K4POLBMEN1
SCHEMBL957975 0.82 MRGPRX4 (0.51) MAP4K4ITGB2ICAM1ITGALPOLB
SCHEMBL961086 0.78 TDP1 (0.51) POLBHPGDCRHBPCRHR2
SCHEMBL959317 0.78 GPR52 (0.52) FYNGPR52MAP4K4POLBHPGD
SCHEMBL958112 0.77 GPR52 (0.48) FYNGPR52MAP4K4POLBHPGD
SCHEMBL1513501 0.75 FYN (0.49) FYNGPR52MAP4K4POLBHPGD
SCHEMBL1513253 0.74 FYN (0.51) FYNGPR52MAP4K4CAMK2D
SCHEMBL960678 0.73 CNR1 (0.50) FYNGPR52MAP4K4POLBHPGD
SCHEMBL1513331 0.73 FYN (0.48) FYNGPR52MAP4K4POLBHPGD
SCHEMBL1513143 0.72 FYN (0.47) FYNGPR52MAP4K4

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 6 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 claimed
EP-2253618-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP claimed
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 FYN 1882/4885GPR52 23/4885MAP4K4 2519/4885

“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.