SCHEMBL1058438

SCHEMBL1058438

CC(=O)OC(C)Cn1nc([N+](=O)[O-])cc1C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ CYP1A2 P05177 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ GAA P10253 1/20 0.42

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
SCHEMBL20555864 0.80 HTT (0.53) HTTALDH1A1MEN1KMT2ANPC1
SCHEMBL20555736 0.80 HTT (0.53) HTTALDH1A1MEN1KMT2ANPC1
SCHEMBL1008954 0.80 HTT (0.53) HTTALDH1A1MEN1KMT2ANPC1
Ammonia Solution, Strong SCHEMBL29200867 0.80 HTT (0.52) HTTALDH1A1MEN1KMT2ANPC1
SCHEMBL4289033 0.78 LMNA (0.43) ALDH1A1KMT2ACYP1A2POLBCYP2C19
SCHEMBL1008523 0.77 HTT (0.68) HTTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL17627055 0.74 HTT (0.55) HTTALDH1A1MEN1KMT2ANPC1
SCHEMBL2760500 0.73 HTT (0.70) HTTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL1520180 0.72 HTT (0.64) HTTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL31052646 0.71 HTT (0.60) HTTALDH1A1MEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102007116-B Pyridazinone glucokinase activators HOFFMAN-LA ROCHE LTD. (CH) 2014-10-22 — — CN disclosed
US-8258134-B2 Pyridazinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-09-04 — — US disclosed
CN-102007116-A Pyridazinone glucokinase activators HOFFMANN LA ROCHE 2011-04-06 — — CN 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
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 HTT 3381/4885ALDH1A1 1059/4885MEN1 3170/4885

“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.

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