SCHEMBL1009031

SCHEMBL1009031

O=C(O)C(Cc1ccccc1)n1ncc(Oc2c(F)cccc2F)cc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 7/20 0.45
PTGS2 P35354 1/20 0.42
ALDH1A1 P00352 3/20 0.40
PKM P14618 1/20 0.40
GAA P10253 1/20 0.40
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
LPAR1 Q92633 1/20 0.39
LPAR5 Q9H1C0 1/20 0.39
HSD17B10 Q99714 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTPN7 P35236 1/20 0.38
RECQL P46063 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
SCHEMBL1008527 0.90 HDAC8 (0.35) HDAC8PTGS2PPARGPPARALPAR1
SCHEMBL2657605 0.84 MCL1 (0.36) HDAC8PTGS2PPARGLPAR1LPAR5
SCHEMBL2657088 0.84 MCL1 (0.36) HDAC8PTGS2PPARGLPAR1LPAR5
SCHEMBL1008308 0.84 MCL1 (0.36) HDAC8PTGS2PPARGLPAR1LPAR5
SCHEMBL1008834 0.83 GCK (0.34) HDAC8PTGS2PPARGLPAR1LPAR5
SCHEMBL1008514 0.81 LPAR1 (0.38) LPAR1LPAR5TDP1
SCHEMBL1007597 0.81 LPAR1 (0.38) LPAR1LPAR5
SCHEMBL4289059 0.81 HDAC8 (0.40) HDAC8ALDH1A1NPSR1MAPTTDP1
SCHEMBL1008391 0.80 LPAR1 (0.37) PTGS2LPAR1LPAR5
SCHEMBL1060470 0.79 HDAC8 (0.39) HDAC8ALDH1A1MAPT

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 HDAC8 1783/4885PTGS2 1312/4885ALDH1A1 1059/4885

“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.