SCHEMBL4281669

SCHEMBL4281669

COc1ccc(C)c(OCC[C@@H]2CN(C(=O)O)CCN2C(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 2/20 0.38
CPS1 P31327 1/20 0.38
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.36
DRD3 P35462 1/20 0.36
NPC1 O15118 1/20 0.36

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 0.92 DRD3 (0.41) KDM4EALDH1A1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL4288262 0.92 FFAR1 (0.39) KDM4EALDH1A1TSHRKMT2ACPS1
SCHEMBL4286355 0.88 HCRTR1 (0.44) KDM4EALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL4285580 0.86 CPS1 (0.46) KDM4ECPS1HCRTR1HCRTR2
SCHEMBL4293913 0.86 DRD3 (0.45) KDM4EALDH1A1HTTKMT2AHCRTR1
SCHEMBL4283120 0.86 CYP1A2 (0.43) KDM4EALDH1A1TSHRHTTL3MBTL1
SCHEMBL4286026 0.85 HPGD (0.49) KDM4EALDH1A1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL4290774 0.85 DRD3 (0.49) KMT2AHCRTR1HCRTR2MEN1HPGD
SCHEMBL4290172 0.84 GPR183 (0.46) KDM4EHTTSMN1; SMN2KMT2AGAA
SCHEMBL4285970 0.84 KDM4E (0.51) KDM4EALDH1A1TSHRL3MBTL1KMT2A

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 760/4885ALDH1A1 388/4885TSHR 3226/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT KDM4E 760/4885ALDH1A1 388/4885TSHR 3226/4885

“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.