SCHEMBL4289059

SCHEMBL4289059

O=C(Nc1ccn(CCO)n1)C(Cc1ccccc1)n1ncc(Oc2c(F)cccc2F)cc1=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 9/20 0.40
GCK P35557 2/20 0.39
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
ALDH1A1 P00352 1/20 0.34
MAPT P10636 2/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1C Q13936 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL4294550 0.92 GCK (0.40) HDAC8GCKRAB9ANPC1SMN1; SMN2
SCHEMBL1060470 0.90 HDAC8 (0.39) HDAC8GCKRAB9ANPC1SMN1; SMN2
SCHEMBL1064873 0.88 GCK (0.39) GCKRAB9ANPC1SMN1; SMN2CACNA1G
SCHEMBL1063209 0.88 GCK (0.39) GCKRAB9ANPC1SMN1; SMN2CACNA1G
SCHEMBL4297566 0.88 HDAC8 (0.36) HDAC8GCKRAB9ANPC1SMN1; SMN2
SCHEMBL1065304 0.87 GCK (0.38) GCKRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL4290470 0.85 GCK (0.50) GCK
SCHEMBL4291032 0.85 GCK (0.50) GCK
SCHEMBL4297570 0.85 GCK (0.50) GCK
SCHEMBL1060596 0.85 GCK (0.49) GCK

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 5 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 claimed
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-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

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 1783/4885GCK 1/4885RAB9A 3487/4885

“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.