SCHEMBL3078741

SCHEMBL3078741

CCCCc1c(C)nc(NCC)nc1CN(C)S(=O)(=O)O

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.32
TLR7 Q9NYK1 2/20 0.32
GAA P10253 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
DNM2 P50570 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
MCL1 Q07820 1/20 0.30

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
SCHEMBL10386403 0.82 TLR8 (0.35) TLR8TLR7GAAL3MBTL1ALDH1A1
SCHEMBL27953685 0.74 TLR8 (0.46) TLR8TLR7GAAL3MBTL1CYP1A2
Bupirimate SCHEMBL29394855 0.71 TLR8 (0.33) TLR8TLR7GAAL3MBTL1CYP1A2
Bupirimate SCHEMBL22961 0.71 TLR8 (0.33) TLR8TLR7GAAL3MBTL1CYP1A2
Ethirimol SCHEMBL20692 0.70 TLR8 (0.41) TLR8TLR7GAAL3MBTL1CYP1A2
Ethirimol SCHEMBL8818899 0.70 TLR8 (0.41) TLR8TLR7GAAL3MBTL1CYP1A2
Bupirimate SCHEMBL29177491 0.70 TLR8 (0.32) TLR8TLR7GAAL3MBTL1CYP1A2
SCHEMBL28707607 0.70 MAPT (0.33) TLR8TLR7GAAL3MBTL1CYP1A2
Bupirimate SCHEMBL6008749 0.70 TLR8 (0.32) TLR8TLR7GAAL3MBTL1CYP1A2
SCHEMBL11621518 0.68 LMNA (0.46) TLR8TLR7CYP1A2CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180007908-A1 Pesticidal Mixtures BASF SE (DE) 2018-01-11 US disclosed
US-9247744-B2 Ternary pesticidal mixtures BASF SE (DE) 2016-02-02 US disclosed
US-20160007609-A1 Pesticidal Mixtures BASF SE (DE) 2016-01-14 US disclosed
EP-1909579-B1 FUNGICIDAL MIXTURES BASED ON AZOLOPYRIMIDINYLAMINES BASF SE (DE) 2015-10-07 EP disclosed
US-20150080215-A1 TERNARY PESTICIDAL MIXTURES BASF SE (DE) 2015-03-19 US disclosed
US-20140155263-A1 Fungicidal Mixtures Based on Azolopyrimidinylamines BASF SE (DE) 2014-06-05 US disclosed
US-8679514-B2 Fungicidal mixtures based on azolopyrimidinylamines BASF SE (DE) 2014-03-25 US disclosed
EP-2489266-A2 Pesticidal mixtures comprising an anthranilamide insecticide and a fungicide BASF SE (DE) 2012-08-22 EP disclosed
EP-2489267-A2 Pesticidal mixtures comprising an anthranilamide insecticide and a fungicide BASF SE (DE) 2012-08-22 EP disclosed
EP-2489268-A2 Pesticidal mixtures comprising an anthranilamide insecticide and a fungicide BASF SE (DE) 2012-08-22 EP disclosed
US-4374143-A AS FUNGICIDES DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1983-02-15 US disclosed
EP-0065334-A1 New pyrazoline derivatives, method of preparing the new compounds, as well as insecticidal compositions on the basis of these compounds DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1982-11-24 EP disclosed
US-4350706-A MITICIDES, LARVICIDES DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1982-09-21 US disclosed
US-4341548-A N-(2-Cyclohexylphenyl)-N',N'-diethyl-ethylene diamine, algicidal compositions containing same, and method of use DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1982-07-27 US disclosed
EP-0001663-B1 NOVEL 2-ARYLAMINO-HEXAHYDROPYRIMIDINES AND -IMIDAZOLIDINES, SALTS AND COMPLEXES THEREOF, METHOD OF PREPARING THE NOVEL COMPOUNDS AND FUNGICIDAL COMPOSITIONS WHICH CONTAIN THE NOVEL COMPOUNDS DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1982-05-12 EP disclosed
EP-0041298-A2 Composition for inhibiting or preventing the development of suckers in tobacco plants DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1981-12-09 EP disclosed
US-4286983-A INCLUDING COMPOUNDS OF THE N-PHENYL-N',N'-DIETHYL ALKYLENEDIAMINE TYPE DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1981-09-01 US disclosed
EP-0033984-A1 New sulphonyl compounds, method of preparing the new compounds, as well as aphicidal compositions on the basis of the new compounds DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1981-08-19 EP disclosed
EP-0031173-A1 New nitrothiophenes, method of preparing the new compounds, as well as fungicidal and/or bactericidal compositions on the basis of the new compounds DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1981-07-01 EP disclosed
US-4221801-A 2-CYANO-5-NITRO-THIAZOLE DUPHAR INTERNATIONAL RESEARCH (NL) 1980-09-09 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-20160007609-A1 Pesticidal Mixtures PTMS, THOP1, MLN TLR8 3955/4885TLR7 4553/4885GAA 864/4885
US-20180007908-A1 Pesticidal Mixtures PTMS, THOP1, MLN TLR8 3955/4885TLR7 4553/4885GAA 864/4885
US-20140155263-A1 Fungicidal Mixtures Based on Azolopyrimidinylamines DDT, STS, ARSA TLR8 4174/4885TLR7 3449/4885GAA 1285/4885
US-20150080215-A1 TERNARY PESTICIDAL MIXTURES AADAC, AS3MT, DDT TLR8 4544/4885TLR7 3714/4885GAA 270/4885

“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.