SCHEMBL13628778

SCHEMBL13628778

COc1ccc(Br)c(/C=N/NC(=O)Cc2cccc(O)c2)c1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 1/20 0.66
POLB P06746 2/20 0.53
KDM4E B2RXH2 2/20 0.53
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 4/20 0.48
ALOX15 P16050 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.45
GLA P06280 1/20 0.45
PTK6 Q13882 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
ERN1 O75460 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL13628789 0.83 SGK1 (0.74) SGK1POLBKDM4EKMT2AMEN1
SCHEMBL13628772 0.81 SGK1 (0.56) SGK1POLBKDM4EKMT2AMEN1
SCHEMBL14066181 0.81 SGK1 (0.71) SGK1POLBKDM4EKMT2AMEN1
SCHEMBL13628767 0.81 SGK1 (0.68) SGK1POLBKDM4EKMT2AMAPT
SCHEMBL13628768 0.80 SGK1 (0.64) SGK1POLBKDM4EKMT2AMEN1
SCHEMBL13628783 0.80 SGK1 (0.64) SGK1POLBKMT2AMEN1MAPT
SCHEMBL13628776 0.80 SGK1 (0.67) SGK1POLBKDM4EKMT2AMEN1
SCHEMBL13628701 0.79 MEN1 (0.54) SGK1POLBKDM4EKMT2AMEN1
SCHEMBL14066128 0.79 SGK1 (1.00) SGK1POLBKDM4EKMT2AMEN1
SCHEMBL13628756 0.76 SGK1 (0.74) SGK1POLBKDM4EKMT2AMEN1

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 4 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
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 2/4885POLB 4702/4885KDM4E 1979/4885

“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.