SCHEMBL15820141

SCHEMBL15820141

O=C1CCC(c2cc([N+](=O)[O-])ccc2Cl)N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
HTT P42858 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.48
ALOX12 P18054 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
VCAM1 P19320 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL21121198 0.76 LMNA (0.50) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL15820184 0.75 ALDH1A1 (0.48) GAAHTTMEN1KMT2AMAPT
SCHEMBL31730207 0.74 ALDH1A1 (0.51) GAAHTTMEN1KMT2AMAPT
SCHEMBL19745457 0.72 GAA (0.56) GAAMAPTALDH1A1HSD17B10SMN1; SMN2
SCHEMBL31444352 0.72 GAA (0.56) GAAMAPTALDH1A1HSD17B10SMN1; SMN2
SCHEMBL15819998 0.72 HSD17B10 (0.46) GAAHTTMEN1KMT2AMAPT
SCHEMBL22609007 0.70 CHRNB4 (0.55) GAAHTTMEN1KMT2AMAPT
SCHEMBL15820182 0.70 ALDH1A1 (0.46) GAAHTTMEN1KMT2AMAPT
SCHEMBL7789459 0.70 SRD5A1 (0.53) TDP1DDB1CRBNCHRNB4CHRNA3
SCHEMBL7789458 0.70 SRD5A1 (0.53) TDP1DDB1CRBNCHRNB4CHRNA3

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 GAA 90/4885HTT 3793/4885MEN1 4074/4885

“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.