SCHEMBL13628779

SCHEMBL13628779

O=C(Cc1cccc(O)c1)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.61
HPGD P15428 3/20 0.61
POLB P06746 3/20 0.61
KMT2A Q03164 8/20 0.57
ALDH1A1 P00352 5/20 0.57
RAB9A P51151 3/20 0.57
NPSR1 Q6W5P4 3/20 0.57
SGK1 O00141 1/20 0.53
MAPT P10636 4/20 0.52
NPC1 O15118 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 5/20 0.50
IDO1 P14902 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPK1 P28482 1/20 0.48
BLM P54132 1/20 0.48

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
SCHEMBL13628768 0.89 SGK1 (0.64) KDM4EHPGDPOLBKMT2AALDH1A1
SCHEMBL15275416 0.85 IDO1 (0.66) KDM4EKMT2ARAB9AMAPTNPC1
SCHEMBL13628698 0.85 IDO1 (0.66) KDM4EKMT2ARAB9AMAPTNPC1
SCHEMBL541300 0.79 CYP1A2 (0.60) KDM4EHPGDPOLBKMT2AALDH1A1
SCHEMBL541299 0.79 CYP1A2 (0.60) KDM4EHPGDPOLBKMT2AALDH1A1
SCHEMBL13628780 0.77 SGK1 (0.59) KDM4EHPGDPOLBKMT2AALDH1A1
SCHEMBL30951248 0.77 IDO1 (0.76) KDM4EHPGDPOLBKMT2AALDH1A1
SCHEMBL15275537 0.77 IDO1 (0.76) KDM4EHPGDPOLBKMT2AALDH1A1
SCHEMBL29227164 0.77 KMT2A (0.60) KDM4EHPGDPOLBKMT2AALDH1A1
SCHEMBL4559372 0.75 ALDH1A1 (0.68) KDM4EPOLBKMT2AALDH1A1RAB9A

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 KDM4E 1979/4885HPGD 1668/4885POLB 4702/4885

“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.