SCHEMBL4284022

SCHEMBL4284022

COc1ccc(C)cc1NC(=O)C[C@H]1NC(=O)CN(Cc2ccccc2)C1=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.55
TSHR P16473 2/20 0.51
PKM P14618 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 3/20 0.48
HDAC6 Q9UBN7 3/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
LMNA P02545 1/20 0.46
GRIN2B Q13224 1/20 0.45

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
SCHEMBL4282183 0.94 OPRK1 (0.55) OPRK1TSHRPKMGAAHDAC6
SCHEMBL4281606 0.89 PKM (0.54) OPRK1PKMGAAHDAC6HDAC1
SCHEMBL4282270 0.88 OPRK1 (0.49) OPRK1TSHRPKMSMN1; SMN2GAA
SCHEMBL4287162 0.86 OPRK1 (0.66) OPRK1TSHRPKMGAAHDAC6
SCHEMBL4291215 0.84 OPRK1 (0.51) OPRK1PKMGAAHDAC6HDAC1
SCHEMBL4291267 0.84 OPRK1 (0.55) OPRK1PKMGAAHDAC6HDAC1
SCHEMBL4289617 0.84 OPRK1 (0.57) OPRK1TSHRPKMGAAHDAC6
SCHEMBL4290251 0.84 OPRK1 (0.51) OPRK1PKMGAAHDAC6HDAC1
SCHEMBL4292503 0.83 PKM (0.72) OPRK1TSHRPKMSMN1; SMN2GAA
SCHEMBL4288914 0.83 HDAC6 (0.53) OPRK1TSHRPKMSMN1; SMN2GAA

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-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US 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 (2 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT OPRK1 2640/4885TSHR 3226/4885PKM 847/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT OPRK1 2640/4885TSHR 3226/4885PKM 847/4885

“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.