SCHEMBL4286180

SCHEMBL4286180

COc1cc(NC(=O)C[C@H]2NC(=O)CN(Cc3ccccc3)C2=O)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.52
PKM P14618 2/20 0.50
GAA P10253 1/20 0.49
HDAC6 Q9UBN7 3/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GRM4 Q14833 1/20 0.42
MET P08581 1/20 0.41
TOP2A P11388 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL4291267 0.90 OPRK1 (0.55) OPRK1PKMGAAHDAC6HDAC1
SCHEMBL4284045 0.84 GAA (0.60) OPRK1PKMGAAHDAC6HDAC1
SCHEMBL4287881 0.83 PKM (0.57) OPRK1PKMGAAHDAC6HDAC1
SCHEMBL4281530 0.83 GAA (0.56) OPRK1PKMGAAHDAC6HDAC1
SCHEMBL4289617 0.83 OPRK1 (0.57) OPRK1PKMGAAHDAC6HDAC1
SCHEMBL4292207 0.82 PKM (0.69) OPRK1PKMGAAHDAC6HDAC1
SCHEMBL4292503 0.82 PKM (0.72) OPRK1PKMGAAHDAC6HDAC1
SCHEMBL4282183 0.82 OPRK1 (0.55) OPRK1PKMGAAHDAC6HDAC1
SCHEMBL4284022 0.81 OPRK1 (0.55) OPRK1PKMGAAHDAC6HDAC1
SCHEMBL5361004 0.81 OPRK1 (0.64) OPRK1GAAHDAC6HDAC1HDAC8

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.