SCHEMBL4281655

SCHEMBL4281655

COC(=O)c1ccc(OCC[C@@H]2CN(C(=O)O)CCN2C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
MAPT P10636 4/20 0.51
RAB9A P51151 2/20 0.50
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 1/20 0.49
DRD3 P35462 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DRD2 P14416 3/20 0.41
NPSR1 Q6W5P4 1/20 0.40
KCNA5 P22460 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
SCHEMBL4294542 0.88 KDM4E (0.49) KDM4EMAPTALDH1A1DRD3L3MBTL1
SCHEMBL4286026 0.88 HPGD (0.49) KDM4EMAPTALDH1A1KMT2ADRD3
SCHEMBL4286140 0.87 HCRTR1 (0.44) KDM4EMAPTRAB9AALDH1A1KMT2A
SCHEMBL4281983 0.86 L3MBTL1 (0.48) KDM4EMAPTMEN1ALDH1A1KMT2A
SCHEMBL4285456 0.85 DRD3 (0.41) KDM4EMEN1ALDH1A1KMT2AHTT
SCHEMBL4292379 0.84 KDM1A (0.43) RAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL3494366 0.84 TEAD1 (0.50) KDM4EMAPTRAB9AMEN1ALDH1A1
SCHEMBL4280901 0.84 GRM5 (0.38) KDM4EMEN1ALDH1A1KMT2AHTT
SCHEMBL4284676 0.84 MAPT (0.43) KDM4EMAPTALDH1A1KMT2AHTT
SCHEMBL4281940 0.83 KCNA5 (0.46) RAB9AMEN1ALDH1A1KMT2AHTT

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 760/4885MAPT 3142/4885RAB9A 1247/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT KDM4E 760/4885MAPT 3142/4885RAB9A 1247/4885

“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.