SCHEMBL4294643

SCHEMBL4294643

COCCOc1cccc(OCC[C@@H]2CN(C(=O)O)CCN2C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
HRH3 Q9Y5N1 10/20 0.42
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 3/20 0.41
MEN1 O00255 1/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40

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
SCHEMBL4285558 0.94 HRH3 (0.45) KDM4EHRH3ALDH1A1KMT2AGAA
SCHEMBL4285970 0.92 KDM4E (0.51) KDM4EHRH3ALDH1A1KMT2AGAA
SCHEMBL4286140 0.86 HCRTR1 (0.44) KDM4EALDH1A1KMT2ADRD2DRD3
SCHEMBL3494366 0.86 TEAD1 (0.50) KDM4EALDH1A1KMT2AGAAMEN1
SCHEMBL4289699 0.86 MAOB (0.45) ALDH1A1KMT2AMEN1HCRTR1HCRTR2
SCHEMBL4292747 0.86 KDM4E (0.40) KDM4EHRH3ALDH1A1KMT2AGAA
SCHEMBL4290686 0.85 ENPP2 (0.43) ALDH1A1HCRTR1HCRTR2
SCHEMBL4287625 0.85 KDM4E (0.50) KDM4EHRH3ALDH1A1KMT2A
SCHEMBL4294089 0.83 KDM4E (0.39) KDM4EALDH1A1KMT2AGAAMEN1
SCHEMBL4286026 0.82 HPGD (0.49) KDM4EALDH1A1KMT2AGAADRD2

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 KDM4E 760/4885HRH3 1248/4885ALDH1A1 388/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT KDM4E 760/4885HRH3 1248/4885ALDH1A1 388/4885

“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.