SCHEMBL4287941

SCHEMBL4287941

CCOc1ccccc1OCC[C@@H]1CN(C(=O)O)CCN1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.43
GLA P06280 1/20 0.43
FFAR1 O14842 1/20 0.42
NPSR1 Q6W5P4 3/20 0.41
ALOX15 P16050 1/20 0.41
NOD2 Q9HC29 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 2/20 0.40
MAPT P10636 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
SCHEMBL4287638 0.91 LMNA (0.50) KDM4EALDH1A1TDP1L3MBTL1KMT2A
SCHEMBL4297009 0.88 KDM4E (0.47) KDM4EALDH1A1TDP1NPSR1KMT2A
SCHEMBL4287502 0.87 KDM4E (0.49) KDM4EALDH1A1TDP1L3MBTL1NPSR1
SCHEMBL4282070 0.87 NPC1 (0.48) KDM4EALDH1A1L3MBTL1FFAR1KMT2A
SCHEMBL4290228 0.86 MAPT (0.51) KDM4EALDH1A1L3MBTL1ALOX15KMT2A
SCHEMBL4283481 0.86 MEN1 (0.47) KDM4EALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL4289100 0.84 KMT2A (0.54) KDM4EALDH1A1NPSR1KMT2AMEN1
SCHEMBL3494366 0.84 TEAD1 (0.50) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL4293729 0.83 MAPK1 (0.41) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL4285550 0.83 MEN1 (0.40) KDM4EALDH1A1TDP1KMT2AMEN1

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 388/4885TDP1 2253/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT KDM4E 760/4885ALDH1A1 388/4885TDP1 2253/4885

“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.