SCHEMBL4286722

SCHEMBL4286722

O=C(C[C@H]1NC(=O)CN(Cc2ccccc2)C1=O)Nc1cccc(OC(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.52
GAA P10253 1/20 0.52
HDAC6 Q9UBN7 3/20 0.50
HDAC1 Q13547 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
KCNJ5 P48544 1/20 0.46
KCNJ3 P48549 1/20 0.46
OPRK1 P41145 3/20 0.46
GRM4 Q14833 1/20 0.41
KMT2A Q03164 1/20 0.41
TOP2A P11388 1/20 0.41
AKT1 P31749 1/20 0.41
NLRP3 Q96P20 1/20 0.40
MAPT P10636 1/20 0.40
EPHX2 P34913 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
SCHEMBL4286523 0.91 PKM (0.54) PKMGAAHDAC6HDAC1HDAC8
SCHEMBL4287881 0.86 PKM (0.57) PKMGAAHDAC6HDAC1HDAC8
SCHEMBL4292207 0.85 PKM (0.69) PKMGAAHDAC6HDAC1HDAC8
SCHEMBL4295695 0.85 HDAC6 (0.51) PKMGAAHDAC6HDAC1HDAC8
SCHEMBL4284045 0.83 GAA (0.60) PKMGAAHDAC6HDAC1HDAC8
SCHEMBL4291398 0.82 PKM (0.65) PKMGAAHDAC6HDAC1HDAC8
SCHEMBL4281530 0.82 GAA (0.56) PKMGAAHDAC6HDAC1HDAC8
SCHEMBL4286180 0.79 OPRK1 (0.52) PKMGAAHDAC6HDAC1HDAC8
SCHEMBL4292503 0.79 PKM (0.72) PKMGAAHDAC6HDAC1HDAC8
SCHEMBL4291267 0.78 OPRK1 (0.55) PKMGAAHDAC6HDAC1HDAC8

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 PKM 847/4885GAA 1381/4885HDAC6 903/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT PKM 847/4885GAA 1381/4885HDAC6 903/4885

“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.