SCHEMBL4287638

SCHEMBL4287638

COc1ccccc1OCC[C@@H]1CN(C(=O)O)CCN1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
TDP1 Q9NUW8 4/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 4/20 0.45
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.42
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL4287941 0.91 KDM4E (0.47) TDP1KDM4EALDH1A1KMT2AMEN1
SCHEMBL4293729 0.90 MAPK1 (0.41) LMNAKDM4EALDH1A1KMT2AMEN1
SCHEMBL4285550 0.90 MEN1 (0.40) LMNATDP1KDM4EALDH1A1DRD2
SCHEMBL4281106 0.89 BTK (0.39) LMNATDP1KDM4EALDH1A1DRD2
SCHEMBL4297009 0.88 KDM4E (0.47) TDP1KDM4EALDH1A1KMT2AMEN1
SCHEMBL4284656 0.88 FFAR1 (0.42) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL4294041 0.88 HCRTR1 (0.40) KDM4EALDH1A1KMT2AMEN1POLB
SCHEMBL4287502 0.87 KDM4E (0.49) LMNATDP1KDM4EALDH1A1KMT2A
SCHEMBL4282070 0.87 NPC1 (0.48) LMNAKDM4EALDH1A1KMT2AMEN1
SCHEMBL4285755 0.86 KDM4E (0.51) LMNATDP1KDM4EALDH1A1KMT2A

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 LMNA 1785/4885TDP1 2253/4885KDM4E 760/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT LMNA 1785/4885TDP1 2253/4885KDM4E 760/4885

“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.