SCHEMBL14359869

SCHEMBL14359869

Cc1c(F)c([N+](=O)[O-])c(F)c([N+](=O)[O-])c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 3/20 0.41
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
TSHR P16473 7/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PKM P14618 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
ACHE P22303 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTT P42858 2/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL10976267 0.90 TDP1 (0.38) TDP1ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL17468410 0.90 TDP1 (0.41) TDP1ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL29150526 0.90 TDP1 (0.41) TDP1ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL25786776 0.87 TDP1 (0.39) TDP1ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL25786826 0.87 TDP1 (0.39) TDP1ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL8110757 0.87 TDP1 (0.39) TDP1ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL10958493 0.87 TDP1 (0.39) TDP1ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL5859377 0.86 ALDH1A1 (0.38) TDP1ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL25786842 0.85 TDP1 (0.38) TDP1ALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL15357207 0.85 TDP1 (0.38) TDP1ALDH1A1GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140127824-A1 REAGENT METHOD AND KIT FOR THE DETECTION OF NITRO ALIPHATIC COMPOUNDS MISTRAL DETECTION LTD. (IL) 2014-05-08 US claimed
WO-2013001534-A1 A REAGENT METHOD AND KIT FOR THE DETECTION OF NITRO ALIPHATIC COMPOUNDS MISTRAL DETECTION LTD. (IL) 2013-01-03 WO claimed
US-20230225201-A1 Organic Light Emitting Diode and Device Comprising the Same NOVALED GMBH (DE) 2023-07-13 US disclosed
US-20180002539-A1 VARNISH FOR FORMATION OF CHARGE-TRANSPORTING THIN FILM NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-01-04 US disclosed
EP-3252840-A1 VARNISH FOR FORMATION OF CHARGE-TRANSPORTING THIN FILM Nissan Chemical Industries, Ltd. (JP) 2017-12-06 EP disclosed
US-20170213986-A1 CHARGE TRANSPORT MATERIAL NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-07-27 US disclosed
US-20170213986-A1 CHARGE TRANSPORT MATERIAL NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-07-27 US disclosed
US-20160301011-A1 ANILINE DERIVATIVES AND USES THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-10-13 US disclosed
US-20160301011-A1 ANILINE DERIVATIVES AND USES THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-10-13 US disclosed
US-9417226-B2 Reagent, method and kit for the detection of nitro aliphatic compounds MISTRAL DETECTION LTD (IL) 2016-08-16 US disclosed
EP-3053910-A1 ANILINE DERIVATIVES AND USES THEREOF Nissan Chemical Industries, Ltd. (JP) 2016-08-10 EP disclosed
WO-2016117521-A1 VARNISH FOR FORMATION OF CHARGE-TRANSPORTING THIN FILM 日産化学工業株式会社 2016-07-28 WO disclosed
WO-2016013533-A1 CHARGE TRANSPORT MATERIAL 日産化学工業株式会社 2016-01-28 WO disclosed
US-20140127824-A1 REAGENT METHOD AND KIT FOR THE DETECTION OF NITRO ALIPHATIC COMPOUNDS MISTRAL DETECTION LTD. (IL) 2014-05-08 US disclosed
WO-2013001534-A1 A REAGENT METHOD AND KIT FOR THE DETECTION OF NITRO ALIPHATIC COMPOUNDS MISTRAL DETECTION LTD. (IL) 2013-01-03 WO disclosed
CN-1868999-A Preparation method of 3-fluoro-5-nitro trifluor toluene SHANGHAI WANSHUO CHEMISTRY CO (CN) 2006-11-29 CN 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-20160301011-A1 ANILINE DERIVATIVES AND USES THEREOF SLC18A1, SLC18A2, SLC43A1 TDP1 1871/4885ALDH1A1 236/4885GRIN2D 427/4885

“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.