SCHEMBL7570836

SCHEMBL7570836

COc1nc(NC(=O)NS(=O)(=O)c2ccccc2[N+](=O)[O-])nc(C(F)(F)Cl)n1.[NaH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.40
PKM P14618 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.38
SLC10A6 Q3KNW5 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 1/20 0.38
ALKBH2 Q6NS38 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
SCHEMBL7563484 0.99 MAPT (0.42) MAPTKDM4ENPC1ALDH1A1THRB
SCHEMBL9064624 0.92 MAPT (0.44) MAPTKDM4ENPC1ALDH1A1THRB
SCHEMBL11639176 0.87 THRB (0.48) MAPTKDM4ENPC1ALDH1A1THRB
SCHEMBL11149394 0.86 THRB (0.45) MAPTKDM4ENPC1ALDH1A1THRB
SCHEMBL11635655 0.84 THRB (0.45) MAPTKDM4ENPC1ALDH1A1THRB
SCHEMBL10922201 0.84 MAPT (0.48) MAPTKDM4ENPC1ALDH1A1THRB
SCHEMBL7562831 0.83 MAPT (0.44) MAPTKDM4ENPC1ALDH1A1CA1
SCHEMBL11153158 0.81 SLC10A6 (0.42) MAPTKDM4ENPC1ALDH1A1THRB
SCHEMBL8874996 0.79 GAA (0.53) MAPTKDM4ETHRBPKMCA1
SCHEMBL11562116 0.78 GAA (0.58) MAPTTHRBPKMCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6413911-B1 REACTING A SULFONYL ISOCYANATE WITH A 2-AMINO-1,3,5-TRIAZINE OR 2-AMINOPYRIMIDINE, OR REACTING A SULFONAMIDE WITH A PHENYL CARBAMATE OR ISOCYANATE OF -1,3,5-TRIAZINE OR PYRIDINE BASF AKTIENGESELLSCHAFT (DE) 2002-07-02 US disclosed
US-20020049321-A1 Herbicidal sulfonylureas, their preparation and use MAYER HORST (DE) 2002-04-25 US disclosed
US-6320046-B1 A 2-AMINO-1,3,5-TRIAZINE AS CHEMICAL INTERMEDIATE; HIGH SELECTIVITY IN SENSITIVE CROPS BASF AKTIENGESELLSCHAFT (DE) 2001-11-20 US disclosed
US-6043196-A Herbicidal sulfonylureas, their preparation and use BASF AKTIENGESELLSCHAFT (DE) 2000-03-28 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-20020049321-A1 Herbicidal sulfonylureas, their preparation and use SLC5A1, DDT, SLC5A2 MAPT 4842/4885KDM4E 2158/4885NPC1 2008/4885

“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.