SCHEMBL956572

SCHEMBL956572

O=C(NCCC(F)(F)F)c1cccc(-c2cccc(Oc3ccc(Cl)cc3Cl)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 2/20 0.48
MRGPRX4 Q96LA9 8/20 0.40
TRPV1 Q8NER1 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 2/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CNR1 P21554 1/20 0.38
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
MAP4K4 O95819 1/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL962349 0.90 GPR52 (0.45) GPR52MRGPRX4LMNAMAPTHPGD
SCHEMBL960594 0.83 CTSL (0.44) GPR52MRGPRX4ALDH1A1CNR1
SCHEMBL957882 0.83 MAP4K4 (0.54) ALDH1A1MAP4K4
SCHEMBL960008 0.81 MRGPRX4 (0.53) GPR52MRGPRX4ABL1BCR
SCHEMBL961250 0.80 GPR52 (0.56) GPR52MRGPRX4HPGDHTTMAP4K4
SCHEMBL959319 0.79 MRGPRX4 (0.61) MRGPRX4MAPTL3MBTL1CNR1
SCHEMBL958289 0.79 KDR (0.50) GPR52MRGPRX4GAAMAP4K4
SCHEMBL958072 0.79 L3MBTL1 (0.51) MRGPRX4MAPTALDH1A1GAAATM
SCHEMBL959140 0.78 MRGPRX4 (0.48) GPR52MRGPRX4LMNAMAPTABL1
SCHEMBL961461 0.78 GPR52 (0.42) GPR52MRGPRX4LMNAMAPTHPGD

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 23/4885MRGPRX4 133/4885TRPV1 384/4885

“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.