SCHEMBL17018451

SCHEMBL17018451

CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)c1nn[nH]n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.54
CTSS P25774 1/20 0.52
PPARG P37231 1/20 0.50
GHSR Q92847 6/20 0.48
MAPT P10636 1/20 0.46
KLK7 P49862 2/20 0.44
KLK5 Q9Y337 2/20 0.44
ALDH1A1 P00352 2/20 0.44
PIN1 Q13526 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
XBP1 P17861 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL16856563 0.87 PIN1 (0.57) CTSSMAPTALDH1A1PIN1MEN1
SCHEMBL20204233 0.87 PIN1 (0.57) CTSSMAPTALDH1A1PIN1MEN1
SCHEMBL17007952 0.85 PIN1 (0.49) GHSRPIN1
SCHEMBL29678076 0.85 MAPT (0.51) PPARAMAPTKLK7KLK5ALDH1A1
SCHEMBL19312176 0.81 PPARA (0.65) PPARACTSSPPARGMAPTKLK7
SCHEMBL13184604 0.81 PPARA (0.65) PPARACTSSPPARGMAPTKLK7
SCHEMBL17018565 0.80 GHSR (0.58) PPARACTSSPPARGGHSR
SCHEMBL17018604 0.79 GHSR (0.58) PPARACTSSPPARGGHSRMEN1
SCHEMBL17021900 0.79 PLA2G2C (0.43) CTSSALDH1A1KMT2ALMNATSHR
SCHEMBL17018603 0.78 GHSR (0.64) PPARACTSSPPARGGHSR

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-9278968-B2 Imidazopyridine compounds ASTELLAS PHARMA INC. (JP) 2016-03-08 US disclosed
US-20150232464-A1 IMIDAZOPYRIDINE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2015-08-20 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-20150232464-A1 IMIDAZOPYRIDINE COMPOUNDS PRKG1, PDE3B, PDE3A PPARA 857/4885CTSS 4811/4885PPARG 297/4885

“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.