SCHEMBL958494

SCHEMBL958494

CCOC(=O)c1cccc(-c2nc(Oc3ccc(Cl)cc3Cl)ccc2C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
GPR55 Q9Y2T6 1/20 0.46
SYK P43405 1/20 0.44
LMNA P02545 1/20 0.42
MRGPRX4 Q96LA9 2/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.40
DHODH Q02127 1/20 0.40
EIF4EBP1 Q13541 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
NPC1 O15118 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
SCHEMBL961456 0.87 MRGPRX4 (0.52) MAPTLMNAMRGPRX4L3MBTL1EIF4EBP1
SCHEMBL958805 0.83 MAPT (0.47) MAPTGAANPSR1GPR55SYK
SCHEMBL959140 0.82 MRGPRX4 (0.48) MAPTLMNAMRGPRX4
SCHEMBL960007 0.80 LMNA (0.39) MAPTLMNAMRGPRX4HPGDHTT
SCHEMBL959981 0.77 MAPT (0.48) MAPTGAANPSR1GPR55LMNA
SCHEMBL957846 0.76 MAPT (0.47) MAPTGAANPSR1GPR55LMNA
SCHEMBL11278911 0.74 MAPT (0.54) MAPTGAANPSR1GPR55MRGPRX4
SCHEMBL958350 0.74 MAPT (0.49) MAPTGAANPSR1GPR55LMNA
SCHEMBL959117 0.72 MAPT (0.49) MAPTGAANPSR1GPR55LMNA
SCHEMBL958072 0.71 L3MBTL1 (0.51) MAPTGAAMRGPRX4ATML3MBTL1

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 MAPT 4154/4885GAA 4197/4885NPSR1 122/4885

“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.