SCHEMBL13628698

SCHEMBL13628698

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.66
HIF1A Q16665 2/20 0.61
CYP1A2 P05177 1/20 0.61
ALOX15 P16050 1/20 0.61
CASP1 P29466 1/20 0.61
KMT2A Q03164 8/20 0.60
MEN1 O00255 7/20 0.60
RAB9A P51151 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
NPC1 O15118 5/20 0.58
CA5A P35218 1/20 0.58
MITF O75030 2/20 0.56
LMNA P02545 1/20 0.56
ALOX12 P18054 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
RRM1 P23921 2/20 0.56
KDM4E B2RXH2 2/20 0.53
MAPT P10636 2/20 0.53
HTT P42858 1/20 0.53
ATM Q13315 1/20 0.53

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
SCHEMBL15275416 1.00 IDO1 (0.66) IDO1HIF1ACYP1A2ALOX15CASP1
SCHEMBL30951248 0.89 IDO1 (0.76) IDO1HIF1ACYP1A2ALOX15CASP1
SCHEMBL15275537 0.89 IDO1 (0.76) IDO1HIF1ACYP1A2ALOX15CASP1
SCHEMBL13628768 0.86 SGK1 (0.64) IDO1KMT2AMEN1RAB9ANPC1
SCHEMBL13628779 0.85 KDM4E (0.61) IDO1CYP1A2KMT2AMEN1RAB9A
SCHEMBL15275439 0.83 MAPT (0.67) IDO1HIF1ACYP1A2ALOX15CASP1
SCHEMBL13628780 0.82 SGK1 (0.59) IDO1CYP1A2KMT2AMEN1RAB9A
SCHEMBL13628697 0.81 SGK1 (0.64) KMT2AMEN1LMNA
SCHEMBL13628772 0.80 SGK1 (0.56) IDO1CYP1A2ALOX15KMT2AMEN1
SCHEMBL24510021 0.80 IDO1 (0.69) IDO1HIF1ACYP1A2ALOX15CASP1

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 IDO1 3283/4885HIF1A 1934/4885CYP1A2 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.