SCHEMBL4285970

SCHEMBL4285970

COc1cccc(OCC[C@@H]2CN(C(=O)O)CCN2C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KMT2A Q03164 1/20 0.51
HRH3 Q9Y5N1 5/20 0.48
DRD2 P14416 4/20 0.48
DRD3 P35462 4/20 0.48
GAA P10253 1/20 0.48
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
LMNA P02545 1/20 0.45
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL4294643 0.92 KDM4E (0.43) KDM4EALDH1A1KMT2AHRH3DRD2
SCHEMBL4285558 0.91 HRH3 (0.45) KDM4EALDH1A1KMT2AHRH3DRD2
SCHEMBL4286026 0.88 HPGD (0.49) KDM4EALDH1A1KMT2ADRD2DRD3
SCHEMBL4286140 0.87 HCRTR1 (0.44) KDM4EALDH1A1KMT2ADRD2DRD3
SCHEMBL3494366 0.87 TEAD1 (0.50) KDM4EALDH1A1KMT2AGAALMNA
SCHEMBL4289699 0.87 MAOB (0.45) ALDH1A1KMT2AHCRTR1HCRTR2
SCHEMBL4292747 0.87 KDM4E (0.40) KDM4EALDH1A1KMT2AHRH3DRD2
SCHEMBL4287625 0.86 KDM4E (0.50) KDM4EALDH1A1KMT2AHRH3LMNA
SCHEMBL4290686 0.86 ENPP2 (0.43) ALDH1A1HCRTR1HCRTR2
SCHEMBL4290774 0.85 DRD3 (0.49) KMT2ADRD3HCRTR1HCRTR2

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 KDM4E 760/4885ALDH1A1 388/4885KMT2A 1049/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT KDM4E 760/4885ALDH1A1 388/4885KMT2A 1049/4885

“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.