SCHEMBL4295462

SCHEMBL4295462

C[C@H](Nc1nc2ccccc2s1)OC(=O)N1CCN(C(=O)O[C@H](C)Nc2nc3ccccc3s2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.52
NPC1 O15118 5/20 0.52
GAA P10253 3/20 0.52
MAPT P10636 2/20 0.52
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.50
ALDH1A1 P00352 4/20 0.50
TSHR P16473 2/20 0.49
ADORA1 P30542 1/20 0.49
DYRK1A Q13627 1/20 0.49
MAPK1 P28482 2/20 0.48
RAF1 P04049 1/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
CYP1A2 P05177 1/20 0.47
ALOX15 P16050 1/20 0.46
CASP1 P29466 1/20 0.46
PDE10A Q9Y233 2/20 0.45

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
SCHEMBL4301644 0.76 LMNA (0.58) RAB9ANPC1MAPTPOLBSMN1; SMN2
SCHEMBL383066 0.73 NPC1 (0.59) RAB9ANPC1GAAMAPTPOLB
SCHEMBL383067 0.73 NPC1 (0.59) RAB9ANPC1GAAMAPTPOLB
SCHEMBL11105682 0.73 NPC1 (0.59) RAB9ANPC1GAAMAPTPOLB
SCHEMBL22561728 0.72 NPC1 (0.58) RAB9ANPC1GAAMAPTSMN1; SMN2
SCHEMBL3568768 0.72 RAB9A (0.64) RAB9ANPC1GAAMAPTPOLB
SCHEMBL11989036 0.72 IDO1 (0.59) RAB9ANPC1GAAMAPTPOLB
SCHEMBL4715553 0.71 CCNA2 (0.56) RAB9ANPC1GAAMAPTPOLB
SCHEMBL5331976 0.69 SLC27A1 (0.60) RAB9ANPC1POLBSMN1; SMN2ALDH1A1
SCHEMBL9036463 0.69 NPC1 (0.74) RAB9ANPC1GAAMAPTSMN1; SMN2

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 RAB9A 1247/4885NPC1 1165/4885GAA 1381/4885

“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.