SCHEMBL13628760

SCHEMBL13628760

CCc1cc(OCc2ccccc2)ccc1/C=N/NC(=O)Cc1cccc(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 1/20 0.61
LMNA P02545 4/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
RECQL P46063 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SPHK2 Q9NRA0 1/20 0.46
SPHK1 Q9NYA1 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GRK2 P25098 1/20 0.46

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
SCHEMBL13628788 0.89 SGK1 (0.71) SGK1LMNAMAPTALDH1A1KDM4E
SCHEMBL13628707 0.88 SGK1 (0.61) SGK1LMNACYP1A2CYP2C19NPSR1
SCHEMBL13628790 0.88 SGK1 (0.64) SGK1LMNACYP3A4MAPTALDH1A1
SCHEMBL13628717 0.86 SGK1 (0.73) SGK1LMNAMAPTALDH1A1HTT
SCHEMBL13628791 0.85 SGK1 (0.60) SGK1LMNAMAPTALDH1A1HTT
SCHEMBL13628738 0.85 SGK1 (0.65) SGK1LMNACYP1A2CYP2C19NPSR1
SCHEMBL13628715 0.85 SGK1 (0.56) SGK1LMNACYP1A2CYP2C19NPSR1
SCHEMBL13628771 0.80 SGK1 (0.67) SGK1LMNAMAPTALDH1A1HTT
SCHEMBL14066173 0.79 SGK1 (0.80) SGK1LMNACYP1A2CYP2C19NPSR1
SCHEMBL2951792 0.78 MAOB (0.50) CYP2C19ALDH1A1POLBMEN1KMT2A

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 2/4885LMNA 3414/4885CYP1A2 2732/4885

“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.