SCHEMBL13628701

SCHEMBL13628701

O=C(Cc1cccc(O)c1)N/N=C/c1c(Br)cc(Br)c(O)c1Br

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
SGK1 O00141 1/20 0.54
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.42
CFTR P13569 1/20 0.41
ERCC1 P07992 1/20 0.41
ERCC4 Q92889 1/20 0.41

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
SCHEMBL13628772 0.83 SGK1 (0.56) MEN1KMT2ASGK1RAB9AKDM4E
SCHEMBL13628704 0.80 SGK1 (0.69) MEN1KMT2ASGK1RAB9AKDM4E
SCHEMBL13628702 0.80 SGK1 (0.63) MEN1KMT2ASGK1RAB9AKDM4E
SCHEMBL13628778 0.79 SGK1 (0.66) MEN1KMT2ASGK1KDM4EPOLB
SCHEMBL13628769 0.79 SGK1 (0.59) MEN1KMT2ASGK1MAPTCYP1A2
SCHEMBL13628770 0.79 SGK1 (0.59) MEN1KMT2ASGK1MAPTALOX15
SCHEMBL13628766 0.77 SGK1 (0.57) MEN1KMT2ASGK1MAPTALOX15
SCHEMBL13628729 0.77 SGK1 (0.59) MEN1KMT2ASGK1RAB9AKDM4E
SCHEMBL4559372 0.76 ALDH1A1 (0.68) MEN1KMT2ASGK1RAB9AKDM4E
SCHEMBL4559373 0.76 ALDH1A1 (0.68) MEN1KMT2ASGK1RAB9AKDM4E

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 MEN1 3671/4885KMT2A 3022/4885SGK1 2/4885

“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.