SCHEMBL13628713

SCHEMBL13628713

O=C(Cc1cccc(O)c1)N/N=C/c1ccc(O)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 1/20 0.64
LMNA P02545 4/20 0.52
NPC1 O15118 2/20 0.52
MAPT P10636 3/20 0.51
GAA P10253 1/20 0.51
THRB P10828 1/20 0.51
ALDH1A1 P00352 7/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 1/20 0.47
IDO1 P14902 1/20 0.45

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
SCHEMBL13628744 0.91 MAPT (0.62) SGK1LMNANPC1MAPTGAA
SCHEMBL13628724 0.85 LMNA (0.56) SGK1LMNANPC1MAPTGAA
SCHEMBL13637834 0.83 SGK1 (0.59) SGK1LMNANPC1MAPTGAA
SCHEMBL13628696 0.82 SGK1 (0.71) SGK1LMNANPC1MAPTGAA
SCHEMBL13628711 0.81 SGK1 (0.69) SGK1LMNAMAPTALDH1A1RAB9A
SCHEMBL14066176 0.81 SGK1 (0.73) SGK1LMNANPC1MAPTALDH1A1
SCHEMBL13628717 0.81 SGK1 (0.73) SGK1LMNAMAPTALDH1A1RAB9A
SCHEMBL13628704 0.81 SGK1 (0.69) SGK1LMNAMAPTALDH1A1L3MBTL1
SCHEMBL13628792 0.81 ALDH1A1 (0.58) SGK1LMNANPC1MAPTTHRB
SCHEMBL13628719 0.81 SGK1 (0.69) SGK1LMNAMAPTGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7619115-B2 Ortho-substituted N'-benzylidene-(3-hydroxyphenyl)acethydrazides MERCK PATENT GMBH (DE) 2009-11-17 US disclosed
US-20080032983-A1 Such as N'-[1-(2-ethyl-4,6-dihydroxyphenyl)meth-(E)-ylidene]-(3-hydroxyphenyl)acetohydrazide which are serum glucocoriticoid kinase inhibitors; diabetes, obesity, metabolic syndrome (dyslipidaemia), systemic and pulmonary hypertonia, cardiovascular and kidney diseases, fibrosis and inflammation MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-02-07 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-20080032983-A1 Such as N'-[1-(2-ethyl-4,6-dihydroxyphenyl)meth-(E)-ylidene]-(3-hydroxyphenyl)acetohydrazide which are serum glucocoriticoid kinase inhibitors; diabetes, obesity, metabolic syndrome (dyslipidaemia), systemic and pulmonary hypertonia, cardiovascular and kidney diseases, fibrosis and inflammation GRK4, SGK1, SGK2 SGK1 2/4885LMNA 3414/4885NPC1 2134/4885

“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.