SCHEMBL4288263

SCHEMBL4288263

COc1ccc(O[C@@H](C)OC(=O)N2CCN(C(=O)O[C@H](C)Oc3ccc(OC)cc3C)CC2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
CPS1 P31327 2/20 0.41
ABHD6 Q9BV23 1/20 0.40
MGLL Q99685 1/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 1/20 0.39
MTNR1B P49286 1/20 0.39
DRD2 P14416 1/20 0.39

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
SCHEMBL4751893 0.90 MGLL (0.42) NPSR1LMNAMAPTSMN1; SMN2L3MBTL1
SCHEMBL4749712 0.86 RAB9A (0.46) NPSR1MAPTHTTSMN1; SMN2L3MBTL1
SCHEMBL4288154 0.86 CPS1 (0.52) L3MBTL1CPS1ABHD6MGLLALDH1A1
SCHEMBL4750109 0.83 ALDH1A1 (0.40) NPSR1LMNAMAPTSMN1; SMN2L3MBTL1
SCHEMBL4753498 0.82 ALDH1A1 (0.48) MAPTSMN1; SMN2L3MBTL1ALDH1A1KDM4E
SCHEMBL4753413 0.82 TDP1 (0.51) LMNASMN1; SMN2L3MBTL1GAATSHR
SCHEMBL4296960 0.80 L3MBTL1 (0.47) LMNAMAPTSMN1; SMN2L3MBTL1MGLL
SCHEMBL4297012 0.79 MEN1 (0.46) NPSR1LMNAMAPTALOX12HTT
SCHEMBL4301342 0.76 ALDH1A1 (0.42) MAPTSMN1; SMN2ABHD6MGLLALDH1A1
SCHEMBL4298277 0.76 KDM4E (0.45) LMNAMAPTALDH1A1KDM4EGAA

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT NPSR1 2099/4885LMNA 1785/4885MAPT 3142/4885

“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.