SCHEMBL4288914

SCHEMBL4288914

Cc1ccccc1NC(=O)C[C@H]1NC(=O)CN(Cc2ccccc2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.53
HDAC1 Q13547 4/20 0.53
HDAC8 Q9BY41 4/20 0.53
PKM P14618 2/20 0.53
GAA P10253 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
OPRK1 P41145 3/20 0.49
ALDH1A1 P00352 4/20 0.48
TSHR P16473 1/20 0.48
HPGD P15428 2/20 0.47
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42

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
SCHEMBL4281606 0.90 PKM (0.54) HDAC6HDAC1HDAC8PKMGAA
SCHEMBL4284778 0.88 MEN1 (0.56) HDAC6HDAC1HDAC8PKMGAA
SCHEMBL4291286 0.87 HDAC6 (0.51) HDAC6HDAC1HDAC8PKMGAA
SCHEMBL4291215 0.86 OPRK1 (0.51) HDAC6HDAC1HDAC8PKMGAA
SCHEMBL4290251 0.86 OPRK1 (0.51) HDAC6HDAC1HDAC8PKMGAA
SCHEMBL4292207 0.85 PKM (0.69) HDAC6HDAC1HDAC8PKMGAA
SCHEMBL4287162 0.85 OPRK1 (0.66) HDAC6HDAC1HDAC8PKMGAA
SCHEMBL4292503 0.85 PKM (0.72) HDAC6HDAC1HDAC8PKMGAA
SCHEMBL4294526 0.84 HDAC6 (0.48) HDAC6HDAC1HDAC8PKMGAA
SCHEMBL4282183 0.83 OPRK1 (0.55) HDAC6HDAC1HDAC8PKMGAA

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 HDAC6 903/4885HDAC1 67/4885HDAC8 168/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HDAC6 903/4885HDAC1 67/4885HDAC8 168/4885

“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.