SCHEMBL4289100

SCHEMBL4289100

COC(=O)c1ccccc1OCC[C@@H]1CN(C(=O)O)CCN1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
GAA P10253 1/20 0.54
ALDH1A1 P00352 4/20 0.51
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 1/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.42
HSP90AA1 P07900 2/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TSHR P16473 1/20 0.42
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 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
SCHEMBL4290228 0.89 MAPT (0.51) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL4287180 0.84 HCRTR2 (0.38) KMT2AMEN1GAAALDH1A1CYP2C9
SCHEMBL4297009 0.84 KDM4E (0.47) KMT2AMEN1ALDH1A1CYP2C19KDM4E
SCHEMBL4282070 0.83 NPC1 (0.48) KMT2AMEN1GAAALDH1A1CYP2C9
SCHEMBL4283481 0.82 MEN1 (0.47) KMT2AMEN1GAAALDH1A1CYP2C19
SCHEMBL4293729 0.81 MAPK1 (0.41) KMT2AMEN1GAAALDH1A1CYP1A2
SCHEMBL4287502 0.81 KDM4E (0.49) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL4282697 0.81 KMT2A (0.48) KMT2AMEN1ALDH1A1CYP1A2MAPT
SCHEMBL4281106 0.80 BTK (0.39) GAAALDH1A1KDM4E
SCHEMBL4284676 0.80 MAPT (0.43) KMT2AGAAALDH1A1CYP2C19KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 KMT2A 1049/4885MEN1 1254/4885GAA 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.