SCHEMBL15820182

SCHEMBL15820182

CN1C(=O)CCC1c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HSD17B10 Q99714 1/20 0.44
HTT P42858 2/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HIF1A Q16665 1/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
POLB P06746 1/20 0.39
VCAM1 P19320 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
SCHEMBL15820536 0.79 FFAR4 (0.43) ALDH1A1SMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL17273953 0.77 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL17273951 0.77 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL15839472 0.76 TDP1 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL15821609 0.73 GCK (0.50) ALDH1A1SMN1; SMN2HTT
SCHEMBL17278957 0.73 GCK (0.43) MEN1KMT2A
SCHEMBL7799881 0.72 SRD5A1 (0.60) HIF1A
SCHEMBL7799877 0.72 SRD5A1 (0.60) HIF1A
SCHEMBL15819998 0.70 HSD17B10 (0.46) ALDH1A1SMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL2909176 0.70 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2931734-B1 NOVEL GLUCOKINASE ACTIVATOR COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF TREATMENT MERCK SHARP & DOHME (US) 2020-12-02 EP disclosed
EP-2931734-B1 NOVEL GLUCOKINASE ACTIVATOR COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF TREATMENT MERCK SHARP & DOHME (US) 2020-12-02 EP disclosed
US-9453038-B2 Glucokinase activator compounds, compositions containing such compounds, and methods of treatment MERCK SHARP & DOHME CORP. (US) 2016-09-27 US disclosed
US-9453038-B2 Glucokinase activator compounds, compositions containing such compounds, and methods of treatment MERCK SHARP & DOHME CORP. (US) 2016-09-27 US disclosed
US-9453038-B2 Glucokinase activator compounds, compositions containing such compounds, and methods of treatment MERCK SHARP & DOHME CORP. (US) 2016-09-27 US disclosed
US-20150336991-A1 NOVEL GLUCOKINASE ACTIVATOR COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2015-11-26 US disclosed
US-20150336991-A1 NOVEL GLUCOKINASE ACTIVATOR COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2015-11-26 US disclosed
US-20150336991-A1 NOVEL GLUCOKINASE ACTIVATOR COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2015-11-26 US disclosed
EP-2931734-A1 NOVEL GLUCOKINASE ACTIVATOR COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF TREATMENT Merck Sharp & Dohme Corp. (US) 2015-10-21 EP disclosed
WO-2014099578-A1 NOVEL GLUCOKINASE ACTIVATOR COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2014-06-26 WO disclosed
WO-2014099578-A1 NOVEL GLUCOKINASE ACTIVATOR COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2014-06-26 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-20150336991-A1 NOVEL GLUCOKINASE ACTIVATOR COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS, AND METHODS OF TREATMENT GCK, GCKR, HK2 ALDH1A1 1590/4885SMN1; SMN2 3353/4885SLC6A2 3663/4885

“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.