SCHEMBL4281606

SCHEMBL4281606

Cc1ccc(C)c(NC(=O)C[C@H]2NC(=O)CN(Cc3ccccc3)C2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.54
HDAC6 Q9UBN7 3/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
GAA P10253 1/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
OPRK1 P41145 3/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
BRD4 O60885 1/20 0.44
HTT P42858 2/20 0.44

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
SCHEMBL4284778 0.90 MEN1 (0.56) PKMHDAC6HDAC1HDAC8GAA
SCHEMBL4288914 0.90 HDAC6 (0.53) PKMHDAC6HDAC1HDAC8GAA
SCHEMBL4284022 0.89 OPRK1 (0.55) PKMHDAC6HDAC1HDAC8GAA
SCHEMBL4290251 0.89 OPRK1 (0.51) PKMHDAC6HDAC1HDAC8GAA
SCHEMBL4282183 0.88 OPRK1 (0.55) PKMHDAC6HDAC1HDAC8GAA
SCHEMBL4292503 0.86 PKM (0.72) PKMHDAC6HDAC1HDAC8GAA
SCHEMBL4291215 0.83 OPRK1 (0.51) PKMHDAC6HDAC1HDAC8GAA
SCHEMBL4292207 0.82 PKM (0.69) PKMHDAC6HDAC1HDAC8GAA
SCHEMBL4291286 0.81 HDAC6 (0.51) PKMHDAC6HDAC1HDAC8GAA
SCHEMBL4291267 0.81 OPRK1 (0.55) PKMHDAC6HDAC1HDAC8GAA

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 7 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-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
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
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO 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 847/4885HDAC6 903/4885HDAC1 67/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT PKM 847/4885HDAC6 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.