SCHEMBL555034

SCHEMBL555034

Nc1ccc(Oc2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
KMT2A Q03164 3/20 0.65
MEN1 O00255 2/20 0.65
MAPT P10636 1/20 0.65
PDE7A Q13946 2/20 0.63
L3MBTL1 Q9Y468 1/20 0.56
HPGD P15428 1/20 0.56
LTA4H P09960 2/20 0.53
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
TDP1 Q9NUW8 2/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
RECQL P46063 1/20 0.51
TTR P02766 1/20 0.51
ALB P02768 1/20 0.51
THRB P10828 1/20 0.51
HSPB1 P04792 1/20 0.49
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49

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
SCHEMBL29467788 1.00 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1MAPTPDE7A
SCHEMBL238962 0.85 L3MBTL1 (0.62) ALDH1A1KMT2AMEN1MAPTL3MBTL1
SCHEMBL1283885 0.84 HSPB1 (0.67) ALDH1A1KMT2AMEN1MAPTL3MBTL1
SCHEMBL6750951 0.84 L3MBTL1 (0.57) ALDH1A1KMT2AMEN1MAPTPDE7A
2,4'-Oxybis(Nitrobenzene) SCHEMBL9474586 0.84 HSPB1 (0.62) ALDH1A1KMT2AMEN1MAPTL3MBTL1
SCHEMBL30421576 0.83 PDE7A (0.53) ALDH1A1KMT2AMEN1MAPTPDE7A
SCHEMBL14375448 0.83 MEN1 (0.57) ALDH1A1KMT2AMEN1MAPTPDE7A
SCHEMBL8695351 0.83 L3MBTL1 (0.60) ALDH1A1KMT2AMEN1MAPTL3MBTL1
SCHEMBL7021137 0.83 L3MBTL1 (0.56) ALDH1A1KMT2AMEN1MAPTL3MBTL1
SCHEMBL7123876 0.83 L3MBTL1 (0.56) ALDH1A1KMT2AMEN1MAPTPDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2886590-B1 PREPREG, AND CARBON FIBER REINFORCED COMPOSITE MATERIAL TORAY INDUSTRIES (JP) 2017-11-08 EP disclosed
US-8415490-B2 Epoxy compound and manufacturing method thereof TORAY FINE CHEMICALS CO., LTD. (JP) 2013-04-09 US disclosed
US-8263216-B2 Epoxy resin composition for fiber-reinforced composite material, prepreg, and fiber-reinforced composite material TORAY INDUSTRIES, INC. (JP) 2012-09-11 US disclosed
WO-2012082436-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2012-06-21 WO disclosed
US-20120035299-A1 EPOXY RESIN COMPOSITION FOR FIBER-REINFORCED COMPOSITE MATERIAL, PREPREG, AND FIBER-REINFORCED COMPOSITE MATERIAL TORAY INDUSTRIES, INC. (JP) 2012-02-09 US disclosed
EP-2341092-A1 EPOXY COMPOUND AND MANUFACTURING METHOD THEREOF Toray Fine Chemicals Co., Ltd. (JP) 2011-07-06 EP disclosed
US-20110040111-A1 EPOXY COMPOUND AND MANUFACTURING METHOD THEREOF TORAY FINE CHEMICALS CO., LTD. (JP) 2011-02-17 US disclosed
US-5939418-A ANTICOAGULANT THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1999-08-17 US disclosed
EP-0874629-A4 ISOXAZOLINE, ISOTHIAZOLINE AND PYRAZOLINE FACTOR Xa INHIBITORS DU PONT MERCK PHARMA (US) 1999-08-04 EP disclosed
EP-0874629-A1 ISOXAZOLINE, ISOTHIAZOLINE AND PYRAZOLINE FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-11-04 EP disclosed
WO-1997023212-A1 ISOXAZOLINE, ISOTHIAZOLINE AND PYRAZOLINE FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-07-03 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 (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-20110040111-A1 EPOXY COMPOUND AND MANUFACTURING METHOD THEREOF CYP2E1, CYP4A11, CYP1A1 ALDH1A1 576/4885KMT2A 541/4885MEN1 2577/4885

“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.