SCHEMBL959528

SCHEMBL959528

N#CCCNC(=O)c1cc(F)cc(-c2cccc(Oc3ccc(Cl)cc3Cl)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 2/20 0.45
MAP4K4 O95819 4/20 0.40
SCN9A Q15858 1/20 0.38
RIPK1 Q13546 1/20 0.37
PPARD Q03181 3/20 0.36
MRGPRX4 Q96LA9 2/20 0.36
WDR5 P61964 1/20 0.35
EGLN2 Q96KS0 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL961250 0.89 GPR52 (0.56) GPR52MAP4K4SCN9ARIPK1PPARD
SCHEMBL960377 0.89 P2RX7 (0.40) GPR52SCN9AMRGPRX4ALDH1A1
SCHEMBL962542 0.87 KDR (0.43) GPR52MRGPRX4SLC6A2SLC6A4SLC6A3
SCHEMBL961523 0.85 SLC6A2 (0.39) GPR52SCN9AMRGPRX4SLC6A2SLC6A4
SCHEMBL963502 0.83 GPR52 (0.46) GPR52MAP4K4ALDH1A1
SCHEMBL963563 0.82 MRGPRX4 (0.39) GPR52PPARDMRGPRX4ALDH1A1
SCHEMBL958823 0.81 MRGPRX4 (0.49) GPR52SCN9AMRGPRX4ALDH1A1
SCHEMBL958740 0.81 KMT2A (0.41) SCN9APPARDMRGPRX4SLC6A2SLC6A4
SCHEMBL959544 0.81 GPR52 (0.45) GPR52MAP4K4
SCHEMBL960594 0.81 CTSL (0.44) GPR52MRGPRX4SLC6A2SLC6A4SLC6A3

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 23/4885MAP4K4 2519/4885SCN9A 1152/4885

“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.