SCHEMBL4815517

SCHEMBL4815517

COC(=O)c1c([N+](=O)[O-])cccc1S(=O)(=O)NC(=O)Nc1nc(OC)nc(OC)n1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.39
SLC10A6 Q3KNW5 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CYP2C9 P11712 1/20 0.38
TBXA2R P21731 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL11639176 0.88 THRB (0.48) TDP1KDM4ENPC1ALDH1A1MAPT
SCHEMBL11045779 0.87 KDM4E (0.41) POLBTDP1KDM4ENPC1ALDH1A1
SCHEMBL4811798 0.83 ALDH1A1 (0.43) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL11149394 0.82 THRB (0.45) TDP1KDM4ENPC1ALDH1A1MAPT
SCHEMBL11635655 0.82 THRB (0.45) KDM4ENPC1ALDH1A1MAPTSLC10A6
SCHEMBL11042813 0.81 KDM4E (0.39) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL11153158 0.80 SLC10A6 (0.42) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL9064624 0.79 MAPT (0.44) TDP1KDM4ENPC1ALDH1A1GAA
SCHEMBL10922201 0.79 MAPT (0.48) POLBTDP1KDM4ENPC1ALDH1A1
SCHEMBL7023958 0.78 NPC1 (0.50) POLBTDP1KDM4ENPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7414011-B2 Phenylsulfonyl ureas, process for their preparation and their use as herbicides and plant growth regulators HOECHST SCHERING AGREVO GMBH (US) 2008-08-19 US disclosed
EP-1153016-B1 PHENYLSULFONYL UREAS, METHODS FOR PRODUCING THEM AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2007-09-05 EP disclosed
US-7078369-B2 Phenylsulfonyl ureas, process for their preparation and their use as herbicides and plant growth regulators HOECHST SCHERING AGREVO GMBH (DE) 2006-07-18 US disclosed
US-20060014644-A1 Phenylsulfonyl ureas, process for their preparation and their use as herbicides and plant growth regulators HOECHST SCHERING AGREVO GMBH 2006-01-19 US disclosed
US-20040176251-A1 Phenylsulfonyl ureas, process for their preparation and their use as herbicides and plant growth regulators BAYER CROPSCIENCE GMBH (DE) 2004-09-09 US disclosed
EP-1153016-A1 PHENYLSULFONYL UREAS, METHODS FOR PRODUCING THEM AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS Aventis CropScience GmbH (DE) 2001-11-14 EP disclosed
WO-2000047566-A1 PHENYLSULFONYL UREAS, METHODS FOR PRODUCING THEM AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS AVENTIS CROPSCIENCE GMBH (DE) 2000-08-17 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 (2 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-20040176251-A1 Phenylsulfonyl ureas, process for their preparation and their use as herbicides and plant growth regulators CBR1, CBR3, CYC1 POLB 1823/4885TDP1 3931/4885KDM4E 392/4885
US-20060014644-A1 Phenylsulfonyl ureas, process for their preparation and their use as herbicides and plant growth regulators CBR3, CBR1, CYC1 POLB 1846/4885TDP1 4471/4885KDM4E 960/4885

“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.