SCHEMBL4284676

SCHEMBL4284676

COC(=O)c1ccc(OC)c(OCC[C@@H]2CN(C(=O)O)CCN2C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 3/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMPD1 P17405 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4290602 0.89 HCRTR1 (0.39) MAPTPOLBALDH1A1CYP2C19GAA
SCHEMBL4285295 0.87 ALDH1A1 (0.47) HPGDHSD17B10POLBALDH1A1CYP2C19
SCHEMBL4281912 0.87 KMT2A (0.50) HPGDHSD17B10ALDH1A1KDM4EHTT
SCHEMBL4284656 0.85 FFAR1 (0.42) POLBALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL4281655 0.84 KDM4E (0.52) MAPTALDH1A1KDM4ETDP1SMN1; SMN2
SCHEMBL4287638 0.84 LMNA (0.50) MAPTHPGDPOLBALDH1A1KDM4E
SCHEMBL4290774 0.83 DRD3 (0.49) HPGDTP53KMT2A
SCHEMBL4286140 0.82 HCRTR1 (0.44) MAPTALDH1A1CYP2C19KDM4EKMT2A
SCHEMBL4285755 0.82 KDM4E (0.51) MAPTHPGDPOLBALDH1A1CYP2C19
SCHEMBL4294041 0.81 HCRTR1 (0.40) HPGDHSD17B10POLBALDH1A1KDM4E

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 MAPT 3142/4885HPGD 106/4885HSD17B10 1017/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT MAPT 3142/4885HPGD 106/4885HSD17B10 1017/4885

“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.