SCHEMBL1008940

SCHEMBL1008940

O=C(O)C(CC1CCCC1)n1ncc(Oc2ccccc2CCO)cc1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.34
METAP1 P53582 1/20 0.34
NAPEPLD Q6IQ20 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
NPY5R Q15761 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
GCK P35557 2/20 0.31
C5AR1 P21730 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
P2RX3 P56373 1/20 0.31
CACNA1F O60840 1/20 0.31
CCR5 P51681 1/20 0.31
CACNA1D Q01668 1/20 0.31
CACNA1S Q13698 1/20 0.31
CACNA1C Q13936 1/20 0.31
SLC6A2 P23975 3/20 0.31
SLC6A4 P31645 3/20 0.31
SLC6A3 Q01959 2/20 0.31

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
SCHEMBL1007886 0.92 POLB (0.34) METAP2METAP1NAPEPLDHCRTR1HCRTR2
SCHEMBL1008265 0.88 FFAR1 (0.40) METAP2METAP1
SCHEMBL1009403 0.86 LPAR1 (0.41) METAP2METAP1NPY5RGCKKDM4C
SCHEMBL1007288 0.86 LPAR1 (0.41) METAP2METAP1CCR5
SCHEMBL1008741 0.86 LPAR1 (0.39) METAP2METAP1HCRTR1HCRTR2
SCHEMBL1009307 0.86 NPY5R (0.43) METAP2METAP1NPY5RGPR132
SCHEMBL1008070 0.85 PTGDR2 (0.41) METAP2METAP1NPY5RCCR5SLC6A2
SCHEMBL1007599 0.85 PTGDR2 (0.42) METAP2METAP1NPY5RSLC6A2SLC6A4
SCHEMBL1008568 0.85 SIRT2 (0.41) METAP2METAP1
SCHEMBL1008604 0.85 METAP2 (0.36) METAP2METAP1NPY5RGCKSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8258134-B2 Pyridazinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
US-8258134-B2 Pyridazinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
US-8258134-B2 Pyridazinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
EP-2268633-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-05 EP disclosed
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
WO-2009127544-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 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-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK METAP2 1286/4885METAP1 1716/4885NAPEPLD 3392/4885

“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.