SCHEMBL13628730

SCHEMBL13628730

O=C(Cc1cccc(O)c1)N/N=C/c1ccc(O)cc1C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 1/20 0.65
LMNA P02545 3/20 0.50
MAPT P10636 2/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
PKM P14618 1/20 0.48
ATM Q13315 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.44
DYRK2 Q92630 1/20 0.43
BRD4 O60885 1/20 0.43

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
SCHEMBL13628699 0.92 SGK1 (0.59) SGK1LMNAMAPTRAB9ANPC1
SCHEMBL13628719 0.88 SGK1 (0.69) SGK1LMNAMAPTRAB9AMEN1
SCHEMBL13628711 0.84 SGK1 (0.69) SGK1LMNAMAPTRAB9AMEN1
SCHEMBL13628696 0.83 SGK1 (0.71) SGK1LMNAMAPTRAB9ANPC1
SCHEMBL13628717 0.82 SGK1 (0.73) SGK1LMNAMAPTRAB9AMEN1
SCHEMBL14066176 0.82 SGK1 (0.73) SGK1LMNAMAPTNPC1MEN1
SCHEMBL13628704 0.82 SGK1 (0.69) SGK1LMNAMAPTRAB9AMEN1
SCHEMBL13628721 0.81 SGK1 (0.69) SGK1LMNAMAPTRAB9AMEN1
SCHEMBL13628765 0.80 SGK1 (0.55) SGK1LMNAMAPTRAB9APKM
SCHEMBL13628753 0.79 SGK1 (0.62) SGK1LMNAMAPTRAB9ANPC1

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 3414/4885MAPT 4540/4885

“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.