SCHEMBL4301644

SCHEMBL4301644

C[C@H](OC(=O)N1CCN(C(=O)O[C@@H](C)Sc2nc3ccccc3s2)CC1)Sc1nc2ccccc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.58
ALDH1A1 P00352 9/20 0.56
HPGD P15428 5/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 4/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
POLB P06746 2/20 0.47
MAPK1 P28482 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 2/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
HTT P42858 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 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
SCHEMBL3259609 0.79 ALDH1A1 (0.53) LMNAALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL4295462 0.76 RAB9A (0.52) ALDH1A1HPGDSMN1; SMN2MAPTRAB9A
SCHEMBL10760487 0.74 ALDH1A1 (0.63) LMNAALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL718296 0.73 PPARA (0.67) LMNAALDH1A1HPGDMAPTPOLB
SCHEMBL9306312 0.73 POLB (0.56) LMNAALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL4753583 0.73 ALDH1A1 (0.47) LMNAALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL9181425 0.72 ALDH1A1 (0.54) LMNAALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL10643688 0.72 LMNA (0.60) LMNAALDH1A1HPGDMAPTRAB9A
SCHEMBL11877687 0.72 SMN1; SMN2 (0.67) LMNAALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL10927242 0.72 ALDH1A1 (0.63) LMNAALDH1A1HPGDSMN1; SMN2MAPT

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 LMNA 1785/4885ALDH1A1 388/4885HPGD 106/4885

“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.