SCHEMBL4290774

SCHEMBL4290774

COc1ccc(OCC[C@@H]2CN(C(=O)O)CCN2C(=O)O)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.49
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 3/20 0.41
FKBP1A P62942 3/20 0.41
GFER P55789 1/20 0.39
FKBP4 Q02790 1/20 0.39
FKBP5 Q13451 1/20 0.39
HCRTR2 O43614 2/20 0.39
HCRTR1 O43613 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL4285982 0.91 DRD3 (0.41) DRD3KMT2AMEN1HCRTR2HCRTR1
SCHEMBL4286026 0.87 HPGD (0.49) DRD3KMT2AHPGD
SCHEMBL4285755 0.86 KDM4E (0.51) KMT2AMEN1HPGD
SCHEMBL4285970 0.85 KDM4E (0.51) DRD3KMT2AHCRTR2HCRTR1
SCHEMBL4287638 0.85 LMNA (0.50) DRD3KMT2AMEN1HPGD
SCHEMBL4284656 0.85 FFAR1 (0.42) KMT2AMEN1HCRTR2HCRTR1
SCHEMBL4294041 0.85 HCRTR1 (0.40) KMT2AMEN1HCRTR2HCRTR1HPGD
SCHEMBL4289383 0.85 RAB9A (0.43) KMT2AMEN1HPGD
SCHEMBL4281669 0.85 KDM4E (0.39) DRD3KMT2AMEN1HCRTR2HCRTR1
SCHEMBL4287265 0.85 KDM4E (0.45) KMT2AMEN1TP53HPGD

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 3 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
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 DRD3 3476/4885KMT2A 1049/4885MEN1 1254/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT DRD3 3476/4885KMT2A 1049/4885MEN1 1254/4885

“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.