SCHEMBL4295744

SCHEMBL4295744

COc1cccc(C)c1NC(=O)C[C@H]1NC(=O)CN(Cc2ccccc2)C1=O

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 5/20 0.60
HDAC6 Q9UBN7 4/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC8 Q9BY41 3/20 0.48
PKM P14618 3/20 0.47
GAA P10253 1/20 0.46
DRD4 P21917 2/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
P2RX7 Q99572 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
SCHEMBL4287162 0.87 OPRK1 (0.66) OPRK1HDAC6HDAC1HDAC8PKM
SCHEMBL4289617 0.84 OPRK1 (0.57) OPRK1HDAC6HDAC1HDAC8PKM
SCHEMBL4291267 0.84 OPRK1 (0.55) OPRK1HDAC6HDAC1HDAC8PKM
SCHEMBL4288914 0.83 HDAC6 (0.53) OPRK1HDAC6HDAC1HDAC8PKM
SCHEMBL4282183 0.83 OPRK1 (0.55) OPRK1HDAC6HDAC1HDAC8PKM
SCHEMBL4284022 0.83 OPRK1 (0.55) OPRK1HDAC6HDAC1HDAC8PKM
SCHEMBL4291215 0.81 OPRK1 (0.51) OPRK1HDAC6HDAC1HDAC8PKM
SCHEMBL4290251 0.81 OPRK1 (0.51) OPRK1HDAC6HDAC1HDAC8PKM
SCHEMBL4286180 0.80 OPRK1 (0.52) OPRK1HDAC6HDAC1HDAC8PKM
SCHEMBL4292207 0.80 PKM (0.69) OPRK1HDAC6HDAC1HDAC8PKM

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 2640/4885HDAC6 903/4885HDAC1 67/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT OPRK1 2640/4885HDAC6 903/4885HDAC1 67/4885

“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.