SCHEMBL13628783

SCHEMBL13628783

COc1ccc(OC)c([N+](=O)[O-])c1/C=N/NC(=O)Cc1cccc(O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 1/20 0.64
ALDH1A1 P00352 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
POLB P06746 1/20 0.51
PKM P14618 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 5/20 0.50
MAPT P10636 4/20 0.50
MEN1 O00255 4/20 0.50
NPSR1 Q6W5P4 1/20 0.50
THRB P10828 1/20 0.50
LMNA P02545 2/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.48
NPC1 O15118 1/20 0.47
ALOX15 P16050 1/20 0.47
IDO1 P14902 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
GAA P10253 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
SCHEMBL13628767 0.82 SGK1 (0.68) SGK1ALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL13628768 0.82 SGK1 (0.64) SGK1ALDH1A1POLBKMT2AMAPT
SCHEMBL13628778 0.80 SGK1 (0.66) SGK1ALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL14066181 0.80 SGK1 (0.71) SGK1ALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL14066161 0.79 SGK1 (0.79) SGK1ALDH1A1SMN1; SMN2L3MBTL1POLB
SCHEMBL14066128 0.78 SGK1 (1.00) SGK1ALDH1A1POLBPKMKMT2A
SCHEMBL13628789 0.76 SGK1 (0.74) SGK1ALDH1A1POLBKMT2AMAPT
SCHEMBL13628829 0.76 KMT2A (0.50) SGK1ALDH1A1L3MBTL1POLBKMT2A
SCHEMBL13628756 0.76 SGK1 (0.74) SGK1ALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL13628713 0.75 SGK1 (0.64) SGK1ALDH1A1SMN1; SMN2L3MBTL1KMT2A

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 3 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-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 2/4885ALDH1A1 2555/4885SMN1; SMN2 4740/4885

“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.