SCHEMBL2083152

SCHEMBL2083152

O=[N+]([O-])c1cnc(F)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
MAPK1 P28482 3/20 0.50
HIF1A Q16665 2/20 0.50
HTT P42858 1/20 0.50
AHR P35869 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 2/20 0.41
GPR35 Q9HC97 2/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TTR P02766 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL3774501 0.90 ALDH1A1 (0.43) ALDH1A1MAPK1HIF1AHTTAHR
SCHEMBL21596680 0.82 TDP1 (0.44) ALDH1A1MAPK1HIF1AHTTTDP1
SCHEMBL30612243 0.82 TDP1 (0.44) ALDH1A1MAPK1HIF1AHTTTDP1
SCHEMBL16992887 0.82 ALDH1A1 (0.46) ALDH1A1MAPK1HIF1AHTTTDP1
SCHEMBL30625727 0.82 ALDH1A1 (0.46) ALDH1A1MAPK1HIF1AHTTTDP1
SCHEMBL8078061 0.79 ALDH1A1 (0.53) ALDH1A1MAPK1HIF1AHTTAHR
SCHEMBL7408717 0.78 ALDH1A1 (0.45) ALDH1A1MAPK1HIF1AHTTMEN1
SCHEMBL2711056 0.78 TSHR (0.41) ALDH1A1MAPK1HIF1AAHRTDP1
SCHEMBL16095369 0.78 ERN1 (0.39) ALDH1A1MAPK1HIF1AHTTTDP1
SCHEMBL1720997 0.78 TDP1 (0.37) ALDH1A1MAPK1HIF1AHTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4443458-A Aminocrotonyl 3,5-dinitropyridine useful as adjuncts to radiation therapy MERCK & CO., INC. (US) 1984-04-17 US claimed
EP-2738161-B1 METHOD FOR PRODUCING AMIDE COMPOUND UBE INDUSTRIES (JP) 2018-04-11 EP disclosed
EP-2738162-B1 METHOD FOR PRODUCING AMIDE COMPOUND UBE INDUSTRIES (JP) 2018-01-03 EP disclosed
EP-2548862-B1 METHOD FOR PRODUCING AMIDE COMPOUND UBE INDUSTRIES (JP) 2016-06-08 EP disclosed
CN-105315213-A Method for producing amide compound UBE INDUSTRIES 2016-02-10 CN disclosed
US-9242931-B2 Method for producing amide compound UBE INDUSTRIES, LTD. (JP) 2016-01-26 US disclosed
CN-102892752-B Process for producing amide compound UBE INDUSTRIES 2015-03-25 CN disclosed
US-8962826-B2 Method for producing amide compound UBE INDUSTRIES, LTD. (JP) 2015-02-24 US disclosed
US-8816069-B2 Method for producing amide compound UBE INDUSTRIES, LTD. (JP) 2014-08-26 US disclosed
CN-103864657-A METHOD FOR PRODUCING AMIDE COMPOUND UBE INDUSTRIES 2014-06-18 CN disclosed
EP-2548862-A1 METHOD FOR PRODUCING AMIDE COMPOUND Ube Industries, Ltd. (JP) 2013-01-23 EP disclosed
US-20130005960-A1 METHOD FOR PRODUCING AMIDE COMPOUND UBE INDUSTRIES, LTD. (JP) 2013-01-03 US disclosed
US-8309714-B2 Process for producing laurolactam UBE INDUSTRIES, LTD. (JP) 2012-11-13 US disclosed
US-8163899-B2 Process for producing laurolactam NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2012-04-24 US disclosed
US-20100267944-A1 PROCESS FOR PRODUCING LAUROLACTAM UBE INDUSTRIES, LTD. (JP) 2010-10-21 US disclosed
EP-2223911-A1 METHOD FOR PRODUCTION OF LAUROLACTAM Ube Industries, Ltd. (JP) 2010-09-01 EP disclosed
EP-2123635-A1 METHOD FOR PRODUCTION OF LAUROLACTAM National University Corporation Nagoya University (JP) 2009-11-25 EP disclosed
US-5378244-A Bright blue; colorfastness; hair dyes KAO CORPORATION (JP) 1995-01-03 US disclosed
EP-0559217-A1 2-Alkoxy-3,5-diaminopyridine derivatives and their salts, and dye compositions for keratinous fibers containing them KAO CORPORATION (JP) 1993-09-08 EP disclosed
US-4443458-A Aminocrotonyl 3,5-dinitropyridine useful as adjuncts to radiation therapy MERCK & CO., INC. (US) 1984-04-17 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 (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-20130005960-A1 METHOD FOR PRODUCING AMIDE COMPOUND ADH1C, ADH5, ALKBH3 ALDH1A1 57/4885MAPK1 3683/4885HIF1A 2707/4885

“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.