SCHEMBL989741

SCHEMBL989741

CCCCNc1c([N+](=O)[O-])cc(C(C)(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.70
TDP1 Q9NUW8 3/20 0.70
L3MBTL1 Q9Y468 2/20 0.70
ALDH1A1 P00352 1/20 0.70
GAA P10253 1/20 0.63
HCAR3 P49019 2/20 0.46
POLB P06746 2/20 0.46
PKM P14618 1/20 0.46
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPK1 P28482 4/20 0.41
LMNA P02545 3/20 0.41
CYP3A4 P08684 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RIPK1 Q13546 3/20 0.40
HPGD P15428 1/20 0.39
ATM Q13315 1/20 0.39
GPR35 Q9HC97 1/20 0.39
TSHR P16473 1/20 0.38
NR5A2 O00482 1/20 0.38

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
SCHEMBL6544560 0.95 MAPT (0.64) MAPTTDP1L3MBTL1ALDH1A1GAA
SCHEMBL11576075 0.84 MAPT (0.47) MAPTTDP1L3MBTL1ALDH1A1GAA
SCHEMBL9501892 0.83 MAPT (1.00) MAPTTDP1L3MBTL1ALDH1A1GAA
SCHEMBL11201808 0.82 MAPT (0.62) MAPTTDP1L3MBTL1ALDH1A1GAA
SCHEMBL28735025 0.79 MAPT (0.47) MAPTTDP1L3MBTL1ALDH1A1GAA
SCHEMBL11445418 0.78 MAPT (0.69) MAPTTDP1L3MBTL1ALDH1A1GAA
SCHEMBL11576924 0.77 MAPT (0.88) MAPTTDP1L3MBTL1ALDH1A1GAA
SCHEMBL11574765 0.77 KMT2A (0.59) MAPTTDP1L3MBTL1ALDH1A1GAA
SCHEMBL11573663 0.75 GPR35 (0.47) MAPTTDP1L3MBTL1ALDH1A1GAA
SCHEMBL989788 0.74 ALDH1A1 (0.51) MAPTTDP1L3MBTL1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050090396-A1 Herbicides based on substituted carboxylic acid anilides BAYER CROPSCIENCE AG (DE) 2005-04-28 US claimed
US-20050003963-A1 Herbicides containing substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)one BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-01-06 US claimed
US-9055748-B2 Herbicides containing substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)one BAYER CROPSCIENCE AG (DE) 2015-06-16 US disclosed
US-8648014-B2 Herbicides containing substituted thien-3-yl-sulphonylaminio(thio)carbonyl-triazolin(ethi)ones BAYER CROPSCIENCE AG (DE) 2014-02-11 US disclosed
US-20130178363-A1 HERBICIDES CONTAINING SUBSTITUTED THIEN-3-YL-SULFONYLAMINO(THIO)CARBONYL-TRIAZOLIN(THI)ONE BAYER CROPSCIENCE AG (DE) 2013-07-11 US disclosed
US-20120309622-A1 HERBICIDES CONTAINING SUBSTITUTED THIEN-3-YL-SULPHONYLAMINIO(THIO)CARBONYL-TRIAZOLIN(ETHI)ONES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-06 US disclosed
US-8268752-B2 Herbicides containing substituted thien-3-yl-sulphonylamino(thio)carbonyl-triazolin(ethi)ones BAYER CROPSCIENCE AG (DE) 2012-09-18 US disclosed
EP-2301352-A1 Herbicide based on substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)ones and dimethamid Bayer CropScience AG (DE) 2011-03-30 EP disclosed
EP-2279663-A2 Herbicides based on substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)ones and mesotrione Bayer CropScience Aktiengesellschaft (DE) 2011-02-02 EP disclosed
EP-2272353-A2 Herbicides based on substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)ones and dicamba Bayer CropScience AG (DE) 2011-01-12 EP disclosed
EP-2272365-A2 Herbicides based on substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)ones and sulcotrione Bayer CropScience Aktiengesellschaft (DE) 2011-01-12 EP disclosed
US-4333759-A Herbicidal 5-cyano-2,3-dihydro-benzofuran-2-ones FISONS LIMITED (GB) 1982-06-08 US disclosed
US-4263037-A 5-Cyano-2,3-dihydrobenzofurans useful as herbicides FISONS LIMITED (GB) 1981-04-21 US disclosed
US-4222767-A Certain herbicidal sulfonates and sulfamates FISONS LIMITED (GB) 1980-09-16 US disclosed
EP-0007719-A2 Cyanbenzofuran derivatives, processes for their preparation and their use in herbicidal compositions; cyanobenzene, benzodioxepine, benzodioxaphosphepine and benzodioxathiepine derivatives FBC LIMITED (GB) 1980-02-06 EP disclosed
US-4183741-A POSTEMERGENCE FISONS LIMITED (GB) 1980-01-15 US disclosed
US-4163846-A HERBICIDES FISONS LIMITED (GB) 1979-08-07 US disclosed
US-4162154-A BENZOFURAN DERIVATIVES FISONS LIMITED (GB) 1979-07-24 US disclosed
US-4136117-A PREPARATION OF 2,6-DINITROANILINES AMERICAN CYANAMID COMPANY (US) 1979-01-23 US disclosed
US-3991116-A HERBICIDES AND PISCICIDES AMCHEM PRODUCTS, INC. (US) 1976-11-09 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-20130178363-A1 HERBICIDES CONTAINING SUBSTITUTED THIEN-3-YL-SULFONYLAMINO(THIO)CARBONYL-TRIAZOLIN(THI)ONE TARS2, TST, DDT MAPT 2958/4885TDP1 201/4885L3MBTL1 478/4885
US-20050090396-A1 Herbicides based on substituted carboxylic acid anilides AADAC, NOTUM, NAAA MAPT 3894/4885TDP1 4220/4885L3MBTL1 1840/4885
US-20120309622-A1 HERBICIDES CONTAINING SUBSTITUTED THIEN-3-YL-SULPHONYLAMINIO(THIO)CARBONYL-TRIAZOLIN(ETHI)ONES TST, DDT, TARS2 MAPT 2382/4885TDP1 292/4885L3MBTL1 947/4885
US-20050003963-A1 Herbicides containing substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)one DDT, TARS2, CBR3 MAPT 3865/4885TDP1 102/4885L3MBTL1 361/4885

“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.