SCHEMBL13044557

SCHEMBL13044557

CCOC(=O)C(O)c1ccc2nccn2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.41
KDM4E B2RXH2 4/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
KMT2A Q03164 1/20 0.39
S1PR3 Q99500 1/20 0.38
ESR1 P03372 1/20 0.38
CPB2 Q96IY4 1/20 0.38
DYRK1A Q13627 1/20 0.38
TGFBR1 P36897 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RET P07949 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
NAMPT P43490 1/20 0.36
DAO P14920 1/20 0.36
PDE10A Q9Y233 1/20 0.36
MAOB P27338 1/20 0.36
GLA P06280 1/20 0.35

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
SCHEMBL20899915 0.86 S1PR3 (0.42) KEAP1MEN1CYP1A2KMT2AS1PR3
SCHEMBL13044558 0.80 NAMPT (0.41) CPB2NAMPT
SCHEMBL3636986 0.79 CPB2 (0.45) KEAP1MEN1CYP1A2KMT2AS1PR3
SCHEMBL12489851 0.78 KEAP1 (0.46) KEAP1MEN1CYP1A2KMT2AS1PR3
SCHEMBL2251313 0.77 ESR1 (0.47) KEAP1KDM4EPOLBCYP1A2ESR1
SCHEMBL12489426 0.76 DYRK1A (0.46) KEAP1MEN1CYP1A2KMT2AS1PR3
SCHEMBL18885057 0.73 KEAP1 (0.47) KEAP1MEN1CYP1A2KMT2AS1PR3
SCHEMBL16621332 0.73 DYRK1A (0.52) KDM4EPOLBMEN1CYP1A2KMT2A
SCHEMBL31390692 0.73 ESR1 (0.47) KDM4EMEN1KMT2AESR1ALDH1A1
SCHEMBL31390694 0.73 ESR1 (0.47) KDM4EMEN1KMT2AESR1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286152-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR GLAXO GROUP LIMITED (GB) 2010-11-11 US disclosed
US-20100286152-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR GLAXO GROUP LIMITED (GB) 2010-11-11 US disclosed
WO-2008148853-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR GLAXO GROUP LIMITED (GB) 2008-12-11 WO 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-20100286152-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR GIPR, GHSR, GLP1R KEAP1 3293/4885KDM4E 2651/4885POLB 4753/4885

“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.