SCHEMBL4297220

SCHEMBL4297220

C[C@@H](OC(=O)N1CCN(C(=O)O[C@H](C)n2ccc(-c3ccccc3)n2)CC1)n1ccc(-c2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.45
PLA2G7 Q13093 2/20 0.45
ABHD6 Q9BV23 2/20 0.45
CYP1A2 P05177 1/20 0.43
HSD17B10 Q99714 1/20 0.43
P2RY12 Q9H244 4/20 0.42
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.40
HCRTR1 O43613 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 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
SCHEMBL11623533 0.75 KMT2A (0.50) CYP1A2KMT2AADORA1TP53SMN1; SMN2
SCHEMBL4292120 0.74 OPRD1 (0.43) MGLLPLA2G7ABHD6CYP1A2KMT2A
SCHEMBL4753615 0.73 HDAC8 (0.41) MGLLPLA2G7ABHD6HSD17B10P2RY12
SCHEMBL12777940 0.72 KMT2A (0.59) HSD17B10KMT2ALMNAALDH1A1TP53
SCHEMBL2524460 0.71 KMT2A (0.46) CYP1A2KMT2ALMNAALDH1A1ADORA2A
SCHEMBL17261487 0.71 MAPT (0.47) HSD17B10KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL11621690 0.70 KMT2A (0.45) KMT2AALDH1A1TP53SMN1; SMN2NPC1
SCHEMBL17261561 0.70 KMT2A (0.41) CYP1A2KMT2ALMNAALDH1A1ADORA1
SCHEMBL21323392 0.70 KMT2A (0.55) HSD17B10KMT2ALMNAALDH1A1TP53
SCHEMBL17261514 0.69 EPHX2 (0.43) CYP1A2KMT2AALDH1A1SMN1; SMN2RAB9A

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 MGLL 2197/4885PLA2G7 1725/4885ABHD6 3736/4885

“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.