SCHEMBL6473649

SCHEMBL6473649

NC(=NO)c1ccccc1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
LMNA P02545 1/20 0.50
AKT1 P31749 1/20 0.50
KMT2A Q03164 4/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
MEN1 O00255 3/20 0.39
CTSL P07711 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
GFER P55789 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36

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
SCHEMBL16511729 1.00 GAA (0.50) GAAL3MBTL1LMNAAKT1KMT2A
SCHEMBL16511705 0.82 AKT1 (0.43) GAAL3MBTL1AKT1KMT2ANPC1
SCHEMBL2134100 0.79 GAA (0.41) GAAL3MBTL1LMNAAKT1KMT2A
SCHEMBL3418130 0.79 GAA (0.41) GAAL3MBTL1LMNAAKT1KMT2A
SCHEMBL3418224 0.79 GAA (0.41) GAAL3MBTL1LMNAAKT1KMT2A
SCHEMBL18190484 0.79 GAA (0.41) GAAL3MBTL1LMNAAKT1KMT2A
SCHEMBL2133796 0.79 GAA (0.41) GAAL3MBTL1LMNAAKT1KMT2A
SCHEMBL14837969 0.79 CTSL (0.43) GAAL3MBTL1LMNAAKT1KMT2A
SCHEMBL19302749 0.77 CTSL (0.41) GAAL3MBTL1AKT1KMT2ANPC1
SCHEMBL3421084 0.75 LMNA (0.38) GAAL3MBTL1LMNAAKT1CTSL

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103087054-A 4-pyridyl phenyl ether compounds, and preparation method and application thereof UNIV SHANDONG 2013-05-08 CN claimed
CN-102911124-A Hydroxy-pyrimidone compound and preparation method and application thereof UNIV SHANDONG 2013-02-06 CN claimed
US-10364256-B2 Biaryl pyrazoles as NRF2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-30 US disclosed
US-20180282349-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-10-04 US disclosed
WO-2017060854-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-04-13 WO disclosed
CN-105001219-A Novel cyclic azabenzimidazole derivatives useful as anti-diabetic agents MERCK SHARP & DOHME 2015-10-28 CN disclosed
CN-103476258-A Novel cyclic azabenzimidazole derivatives useful as antidiabetic agents MERCK SHARP & DOHME 2013-12-25 CN disclosed
CN-103087054-A 4-pyridyl phenyl ether compounds, and preparation method and application thereof UNIV SHANDONG 2013-05-08 CN disclosed
CN-102911124-A Hydroxy-pyrimidone compound and preparation method and application thereof UNIV SHANDONG 2013-02-06 CN disclosed
EP-1565457-A2 PROCESS FOR SYNTHESIS BIS-ARYL DIAMIDOXIME COMPOUNDS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-08-24 EP disclosed
WO-2004051217-A2 PROCESS FOR SYNTHESIS BIS-ARYL DIAMIDOXIME COMPOUNDS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2004-06-17 WO 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 (2 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-10364256-B2 Biaryl pyrazoles as NRF2 regulators NFE2L2, KEAP1, NQO1 GAA 2920/4885L3MBTL1 3899/4885LMNA 2758/4885
US-20180282349-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS NFE2L2, KEAP1, NQO1 GAA 2920/4885L3MBTL1 3899/4885LMNA 2758/4885

“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.