SCHEMBL554702

SCHEMBL554702

Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.65
ALDH1A1 P00352 5/20 0.64
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
MAPT P10636 4/20 0.56
HSPB1 P04792 3/20 0.56
CYP3A4 P08684 2/20 0.55
POLB P06746 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MYOC Q99972 1/20 0.49
PDE7A Q13946 1/20 0.48
HTT P42858 1/20 0.47
SRD5A2 P31213 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL29552608 1.00 TDP1 (0.65) TDP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL29776250 0.93 ALDH1A1 (0.62) TDP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL866003 0.93 ALDH1A1 (0.62) TDP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL476349 0.88 ALDH1A1 (0.58) TDP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL5090260 0.88 NR4A1 (0.61) TDP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL11211363 0.87 TSHR (0.67) TDP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL11213895 0.87 PDE7A (0.56) TDP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL3489531 0.87 ALDH1A1 (0.59) TDP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL1877501 0.84 ALDH1A1 (0.49) TDP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL16816933 0.83 MAPT (0.76) TDP1ALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11286359-B2 Prepreg and carbon fiber-reinforced composite material TORAY INDUSTRIES, INC. (JP) 2022-03-29 US disclosed
US-11111345-B2 Prepreg and carbon fiber-reinforced composite material TORAY INDUSTRIES, INC. (JP) 2021-09-07 US disclosed
EP-3800285-A1 SIZING-AGENT-COATED CARBON FIBRE BUNDLE, CARBON-FIBRE-BUNDLE PRODUCTION METHOD, AND PREPREG Toray Industries, Inc. (JP) 2021-04-07 EP disclosed
US-10400076-B2 Epoxy resin composition, prepreg, and carbon fiber-reinforced composite material TORAY INDUSTRIES, INC. (JP) 2019-09-03 US disclosed
US-10184034-B2 Carbon fiber forming raw material, formed material, and carbon fiber-reinforced composite material TORAY INDUSTRIES, INC. (JP) 2019-01-22 US disclosed
US-10138593-B2 Sizing agent-coated carbon fibers, process for producing sizing agent-coated carbon fibers, prepreg, and carbon fiber reinforced composite material TORAY INDUSTRIES, INC. (JP) 2018-11-27 US disclosed
EP-3020763-B1 EPOXY RESIN COMPOSITION, PREPREG, AND CARBON FIBER-REINFORCED COMPOSITE MATERIAL TORAY INDUSTRIES (JP) 2018-08-29 EP disclosed
EP-2799616-B1 CARBON FIBER COATED WITH SIZING AGENT, PROCESS FOR PRODUCING CARBON FIBER COATED WITH SIZING AGENT, PREPREG, AND CARBON FIBER REINFORCED COMPOSITE MATERIAL TORAY INDUSTRIES (JP) 2018-07-11 EP disclosed
US-9834670-B2 Epoxy resin composition for fiber-reinforced composite material, prepreg, and fiber-reinforced composite material TORAY INDUSTRIES, INC. (JP) 2017-12-05 US disclosed
US-20170327657-A1 PREPREG AND CARBON FIBER-REINFORCED COMPOSITE MATERIAL TORAY INDUSTRIES, INC. (JP) 2017-11-16 US disclosed
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 US disclosed
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 US disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 US disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 US disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 US disclosed
US-20040082583-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2004-04-29 US disclosed
EP-1341771-A2 BENZIMIDAZOLE DERIVATIVES USEFUL AS TIE-2 AND/OR VEGFR-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2003-09-10 EP disclosed
WO-2002044156-A2 BENZIMIDAZOLE DERIVATIVES USEFUL AS TIE-2 AND/OR VEGFR-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2002-06-06 WO disclosed
US-4595745-A Polycondensation product of aromatic dicarboxylic acid component comprising acids and acid halides with organic diamine comprising diamino chalcone and ester or ether containing diamine and nonphotocrosslinkable diamine UBE INDUSTRIES, LTD. (JP) 1986-06-17 US disclosed
US-4558117-A Organic solvent-soluble photosensitive polyimide resin UBE INDUSTRIES, LTD. (JP) 1985-12-10 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 (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-20070249600-A1 CHEMICAL COMPOUNDS TIE1, KDR, FLT4 TDP1 2042/4885ALDH1A1 955/4885MEN1 760/4885
US-20040082583-A1 Chemical compounds TIE1, KDR, FLT4 TDP1 2042/4885ALDH1A1 955/4885MEN1 760/4885

“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.