SCHEMBL3028231

SCHEMBL3028231

CC/C=C/c1cccc([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.65
FBP1 P09467 1/20 0.63
VCP P55072 1/20 0.63
CYP19A1 P11511 1/20 0.63
GAA P10253 1/20 0.56
ALDH1A1 P00352 6/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
MAPT P10636 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
TRPM8 Q7Z2W7 1/20 0.53
GLO1 Q04760 1/20 0.53
MAOB P27338 1/20 0.52
HTT P42858 2/20 0.52
LMNA P02545 2/20 0.52
TSHR P16473 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPK1 P28482 2/20 0.51

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
SCHEMBL3028232 1.00 NFE2L2 (0.65) NFE2L2FBP1VCPCYP19A1GAA
SCHEMBL31609672 0.87 NFE2L2 (0.61) NFE2L2FBP1VCPCYP19A1GAA
SCHEMBL30605279 0.87 NFE2L2 (0.61) NFE2L2FBP1VCPCYP19A1GAA
SCHEMBL9629088 0.84 ALDH1A1 (0.60) NFE2L2FBP1VCPCYP19A1GAA
SCHEMBL9629097 0.84 ALDH1A1 (0.60) NFE2L2FBP1VCPCYP19A1GAA
SCHEMBL7137045 0.84 NFE2L2 (0.61) NFE2L2FBP1VCPCYP19A1GAA
SCHEMBL15498134 0.84 NFE2L2 (0.89) NFE2L2FBP1VCPCYP19A1GAA
SCHEMBL4632192 0.83 NFE2L2 (0.65) NFE2L2FBP1VCPCYP19A1GAA
SCHEMBL6158116 0.83 NFE2L2 (0.65) NFE2L2FBP1VCPCYP19A1GAA
SCHEMBL4632191 0.83 NFE2L2 (0.65) NFE2L2FBP1VCPCYP19A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2984055-B1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS MATERIA INC (US) 2018-10-17 EP disclosed
EP-3265458-A1 BENZAZEPINE DICARBOXAMIDE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2018-01-10 EP disclosed
US-9758445-B2 Preparation of surfactants via cross-metathesis MATERIA, INC. (US) 2017-09-12 US disclosed
US-9663459-B2 Preparation of surfactants via cross-metathesis MATERIA, INC. (US) 2017-05-30 US disclosed
US-9562019-B2 Substituted pyridazines as EGFR and/or KRAS inhibitors SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2017-02-07 US disclosed
EP-2518063-B1 Pyridazinones and furan-containing compounds SLOAN-KETTERING INST FOR CANCER RES (US) 2017-02-01 EP disclosed
WO-2016142250-A1 BENZAZEPINE DICARBOXAMIDE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2016-09-15 WO disclosed
US-20160186094-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS MATERIA, INC. 2016-06-30 US disclosed
US-20160145204-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS MATERIA, INC. 2016-05-26 US disclosed
EP-2984055-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS Materia, Inc. (US) 2016-02-17 EP disclosed
WO-2015126462-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS MATERIA, INC. (US) 2015-08-27 WO disclosed
EP-2099770-B1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS SLOAN KETTERING INST CANCER (US) 2015-06-10 EP disclosed
WO-2014169080-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS MATERIA, INC. (US) 2014-10-16 WO disclosed
US-20130131062-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DJABALLAH HAKIM (US) 2013-05-23 US disclosed
EP-2518063-A1 Pyridazinones and furan-containing compounds Sloan-Kettering Institute For Cancer Research (US) 2012-10-31 EP disclosed
US-20100210649-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2010-08-19 US disclosed
US-7169786-B2 Isoxazoline derivatives as anti-depressants JANSSEN-CILAG S.A. (ES) 2007-01-30 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 (4 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-20130131062-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DPYD, PDXK, TYMP NFE2L2 1030/4885FBP1 123/4885VCP 4089/4885
US-20160186094-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS SMURF2, EPHX2, SMURF1 NFE2L2 1025/4885FBP1 2094/4885VCP 1432/4885
US-20100210649-A1 PYRIDAZINONES AND FURAN-CONTAINING COMPOUNDS DPYD, PDXK, TYMP NFE2L2 1030/4885FBP1 123/4885VCP 4089/4885
US-20160145204-A1 PREPARATION OF SURFACTANTS VIA CROSS-METATHESIS SMURF2, SMURF1, ABCB4 NFE2L2 1863/4885FBP1 2703/4885VCP 2035/4885

“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.