SCHEMBL4291267

SCHEMBL4291267

COc1cc(NC(=O)C[C@H]2NC(=O)CN(Cc3ccccc3)C2=O)ccc1C

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.55
PKM P14618 2/20 0.53
GAA P10253 2/20 0.50
HDAC6 Q9UBN7 3/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
POLB P06746 2/20 0.42
GRM4 Q14833 1/20 0.41

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
SCHEMBL4286180 0.90 OPRK1 (0.52) OPRK1PKMGAAHDAC6HDAC1
SCHEMBL4292503 0.85 PKM (0.72) OPRK1PKMGAAHDAC6HDAC1
SCHEMBL4295744 0.84 OPRK1 (0.60) OPRK1PKMGAAHDAC6HDAC1
SCHEMBL4282183 0.84 OPRK1 (0.55) OPRK1PKMGAAHDAC6HDAC1
SCHEMBL4284022 0.84 OPRK1 (0.55) OPRK1PKMGAAHDAC6HDAC1
SCHEMBL4290251 0.84 OPRK1 (0.51) OPRK1PKMGAAHDAC6HDAC1
SCHEMBL4292207 0.83 PKM (0.69) OPRK1PKMGAAHDAC6HDAC1
SCHEMBL4287162 0.83 OPRK1 (0.66) OPRK1PKMGAAHDAC6HDAC1
SCHEMBL4291215 0.82 OPRK1 (0.51) OPRK1PKMGAAHDAC6HDAC1
SCHEMBL4281606 0.81 PKM (0.54) OPRK1PKMGAAHDAC6HDAC1

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 2640/4885PKM 847/4885GAA 1381/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT OPRK1 2640/4885PKM 847/4885GAA 1381/4885

“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.