SCHEMBL638296

SCHEMBL638296

CC(C)CCC(C)Nc1ccc(N=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.44
HSD17B10 Q99714 5/20 0.44
TSHR P16473 4/20 0.44
CYP3A4 P08684 3/20 0.44
HIF1A Q16665 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALOX15 P16050 2/20 0.44
TP53 P04637 2/20 0.44
HSP90AA1 P07900 1/20 0.44
THRB P10828 1/20 0.44
CASP1 P29466 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 3/20 0.40
MAPK1 P28482 3/20 0.39
ALOX12 P18054 1/20 0.39
EPHX2 P34913 1/20 0.35
KMT2A Q03164 6/20 0.35
MEN1 O00255 3/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL39071 0.84 ALDH1A1 (0.58) ALDH1A1HSD17B10TSHRCYP3A4HIF1A
SCHEMBL1028447 0.84 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRCYP3A4HIF1A
SCHEMBL14114358 0.79 ALDH1A1 (0.38) ALDH1A1HSD17B10TSHRCYP3A4HIF1A
SCHEMBL6681258 0.79 ALDH1A1 (0.47) ALDH1A1HSD17B10TSHRCYP3A4HIF1A
SCHEMBL9064331 0.78 ALDH1A1 (0.40) ALDH1A1HSD17B10TSHRCYP3A4HIF1A
SCHEMBL9653427 0.77 ALDH1A1 (0.75) ALDH1A1HSD17B10TSHRCYP3A4HIF1A
SCHEMBL3340840 0.77 ALDH1A1 (0.61) ALDH1A1HSD17B10TSHRCYP3A4HIF1A
SCHEMBL1029396 0.77 ALDH1A1 (0.52) ALDH1A1HSD17B10TSHRCYP3A4HIF1A
SCHEMBL1031989 0.76 LMNA (0.33) ALDH1A1SMN1; SMN2ALOX12RAB9ANPC1
SCHEMBL819511 0.76 TDP1 (0.48) ALDH1A1HSD17B10TSHRCYP3A4HIF1A

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1474377-B1 NITROSOPHENOLS AND C-NITROSOANILINES AS POLYMERIZATION INHIBITORS CHEMTURA CORP (US) 2011-01-19 EP claimed
US-7728083-B1 Aromatic sulfonic acids, amines and nitrophenols in combination with nitroxyl radical-containing compounds or C-nitrosoanilines as polymerization inhibitors CHEMTURA CORPORATION (US) 2010-06-01 US claimed
US-20100127218-A1 AROMATIC SULFONIC ACIDS, AMINES AND NITROPHENOLS IN COMBINATION WITH NITROXYL RADICAL-CONTAINING COMPOUNDS OR C-NITROSOANILINES AS POLYMERIZATION INHIBITORS CHEMTURA CORPORATION (US) 2010-05-27 US claimed
EP-1817271-A1 AROMATIC SULFONIC ACIDS, AMINES, AND NITROPHENOLS IN COMBINATION WITH NITROXYL RADICAL-CONTAINING COMPOUNDS OR C-NITROSANILINES AS POLYMERIZATION INHIBITORS Chemtura Corporation (US) 2007-08-15 EP claimed
US-7125475-B2 Nitrosophenols and C-nitrosoanilines as polymerization inhibitors CROMPTON CORPORATION (US) 2006-10-24 US claimed
WO-2006062563-A1 AROMATIC SULFONIC ACIDS, AMINES, AND NITROPHENOLS IN COMBINATION WITH NITROXYL RADICAL-CONTAINING COMPOUNDS OR C-NITROSANILINES AS POLYMERIZATION INHIBITORS CHEMTURA CORPORATION (US) 2006-06-15 WO claimed
US-20060122341-A1 Aromatic sulfonic acids, amines, and nitrophenols in combination with nitroxyl radical-containing compounds or C-nitrosanilines as polymerization inhibitors ADDIVANT USA, LLC 2006-06-08 US claimed
US-7022220-B2 C-nitrosoaniline compounds and their blends as polymerization inhibitors UNIROYAL CHEMICAL COMPANY, INC. (US) 2006-04-04 US claimed
EP-1326943-B1 C-NITROSOANILINE COMPOUNDS AND THEIR BLENDS AS POLYMERIZATION INHIBITORS UNIROYAL CHEM CO INC (US) 2006-01-25 EP claimed
US-6902663-B2 C-nitrosoaniline compounds and their blends as polymerization inhibitors UNIROYAL CHEMICAL COMPANY, INC. (US) 2005-06-07 US claimed
US-6899806-B2 C-nitrosoaniline compounds and their blends as polymerization inhibitors UNIROYAL CHEMICAL COMPANY, INC. (US) 2005-05-31 US claimed
EP-1474377-A1 NITROSOPHENOLS AND C-NITROSOANILINES AS POLYMERIZATION INHIBITORS Crompton Corporation (US) 2004-11-10 EP claimed
US-20040104146-A1 C-nitrosoaniline compounds and their blends as polymerization inhibitors UNIROYAL CHEMICAL COMPANY, INC. 2004-06-03 US claimed
US-20040106753-A1 C-nitrosoaniline compounds and their blends as polymerization inhibitors UNIROYAL CHEMICAL COMPANY, INC. 2004-06-03 US claimed
US-20040089586-A1 C-nitrosoaniline compounds and their blends as polymerization inhibitors UNIROYAL CHEMICAL COMPANY, INC. 2004-05-13 US claimed
WO-2003070687-A1 NITROSOPHENOLS AND C-NITROSOANILINES AS POLYMERIZATION INHIBITORS CROMPTON CORPORATION (US) 2003-08-28 WO claimed
US-20030155227-A1 Nitrosophenols and C-nitrosoanilines as polymerization inhibitors CROMPTON CORPORATION 2003-08-21 US claimed
EP-1326943-A2 C-NITROSOANILINE COMPOUNDS AND THEIR BLENDS AS POLYMERIZATION INHIBITORS Uniroyal Chemical Company, Inc. (US) 2003-07-16 EP claimed
US-20030047439-A1 C-nitrosoaniline compounds and their blends as polymerization inhibitors ADDIVANT USA, LLC 2003-03-13 US claimed
WO-2002033025-A2 C-NITROSOANILINE COMPOUNDS AND THEIR BLENDS AS POLYMERIZATION INHIBITORS UNIROYAL CHEMICAL COMPANY, INC. (US) 2002-04-25 WO claimed

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-20040089586-A1 C-nitrosoaniline compounds and their blends as polymerization inhibitors NOX5, ETFB, NOX1 ALDH1A1 939/4885HSD17B10 1290/4885TSHR 4810/4885
US-20040104146-A1 C-nitrosoaniline compounds and their blends as polymerization inhibitors NOX5, ETFB, NOX1 ALDH1A1 939/4885HSD17B10 1290/4885TSHR 4810/4885

“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.