SCHEMBL13628744

SCHEMBL13628744

O=C(Cc1cccc(O)c1)N/N=C/c1ccccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
GAA P10253 2/20 0.62
THRB P10828 1/20 0.62
ALDH1A1 P00352 9/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
KDM4E B2RXH2 1/20 0.60
NPC1 O15118 4/20 0.59
RAB9A P51151 3/20 0.59
SGK1 O00141 1/20 0.58
LMNA P02545 5/20 0.57
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HTT P42858 1/20 0.52

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
SCHEMBL13628713 0.91 SGK1 (0.64) MAPTGAATHRBALDH1A1SMN1; SMN2
SCHEMBL13637834 0.90 SGK1 (0.59) MAPTGAATHRBALDH1A1SMN1; SMN2
SCHEMBL13628724 0.87 LMNA (0.56) MAPTGAATHRBALDH1A1SMN1; SMN2
SCHEMBL13628735 0.83 LMNA (0.76) MAPTGAATHRBALDH1A1SMN1; SMN2
SCHEMBL13628763 0.81 SGK1 (0.63) MAPTALDH1A1KDM4ERAB9ASGK1
SCHEMBL13628702 0.81 SGK1 (0.63) MAPTALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL13628792 0.81 ALDH1A1 (0.58) MAPTTHRBALDH1A1SMN1; SMN2KDM4E
SCHEMBL13628758 0.81 SGK1 (0.59) MAPTALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL4559373 0.80 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL4559372 0.80 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A

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 3 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

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 MAPT 4540/4885GAA 1627/4885THRB 676/4885

“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.