Benzene

Benzene

SCHEMBL1148150

C#CC1(NC(=O)C(C)(COc2ccc(-n3cncn3)cc2)NS(C)(=O)=O)CCCCC1.c1ccccc1

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PPARD Q03181 1/20 0.35
▸ NR2F2 P24468 1/20 0.34
▸ CTSS P25774 4/20 0.33
▸ THRB P10828 1/20 0.33
▸ CTSL P07711 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ GRM2 Q14416 1/20 0.32
▸ PRMT5 O14744 1/20 0.32
▸ WDR77 Q9BQA1 1/20 0.32
▸ SMYD3 Q9H7B4 1/20 0.32
▸ CPT2 P23786 1/20 0.32
▸ CPT1A P50416 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
SCHEMBL1148143 0.91 CYP1A2 (0.34) CYP1A2CYP2D6CYP2C9CYP2C19PPARD
Benzene SCHEMBL1148105 0.81 CYP1A2 (0.47) CYP1A2CYP2D6CYP2C9CYP2C19PPARD
Benzene SCHEMBL1148081 0.80 CYP1A2 (0.43) CYP1A2CYP2D6CYP2C9CYP2C19PPARD
Benzene SCHEMBL1148142 0.79 CYP1A2 (0.46) CYP1A2CYP2D6CYP2C9CYP2C19PPARD
Benzene SCHEMBL1147623 0.79 CYP1A2 (0.46) CYP1A2CYP2D6CYP2C9CYP2C19PPARD
Benzene SCHEMBL1148094 0.77 CYP1A2 (0.40) CYP1A2CYP2D6CYP2C9CYP2C19PPARD
Benzene SCHEMBL1148314 0.77 MEN1 (0.42) CYP1A2CYP2D6CYP2C9CYP2C19PPARD
Benzene SCHEMBL1148127 0.75 RAB9A (0.39) CYP1A2CYP2D6CYP2C9CYP2C19PPARD
SCHEMBL1148078 0.71 CYP1A2 (0.40) CYP1A2CYP2D6CYP2C9CYP2C19PPARD
SCHEMBL1148103 0.71 CYP1A2 (0.44) CYP1A2CYP2D6CYP2C9CYP2C19PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7884103-B2 such as N-(4-Chloro-phenyl)-2-methyl-2-phenylmethanesulfonylamino-3-(4-[1,2,4]triazol-1-yl-phenoxy)-propionamide, used for controlling or preventing the infestation of plants by phytopathogenic microorganisms, especially fungi SYNGENTA CROP PROTECTION, INC. (US) 2011-02-08 — — US claimed
US-20070155748-A1 N-sulfonyl-alpha-amino-acid derivatives SYNGENTA CROP PROTECTION, INC. 2007-07-05 — — US claimed
JP-2007504108-A — — 2007-03-01 — — JP claimed
EP-1660441-A2 N-SULFONYL-ALPHA-AMINO-ACID DERIVATIVES Syngenta Participations AG (CH) 2006-05-31 — — EP claimed
WO-2005021490-A2 N-SULFONYL-α-AMINO-ACID DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2005-03-10 — — WO claimed
US-7884103-B2 such as N-(4-Chloro-phenyl)-2-methyl-2-phenylmethanesulfonylamino-3-(4-[1,2,4]triazol-1-yl-phenoxy)-propionamide, used for controlling or preventing the infestation of plants by phytopathogenic microorganisms, especially fungi SYNGENTA CROP PROTECTION, INC. (US) 2011-02-08 — — US disclosed
US-20070155748-A1 N-sulfonyl-alpha-amino-acid derivatives SYNGENTA CROP PROTECTION, INC. 2007-07-05 — — US disclosed
EP-1660441-A2 N-SULFONYL-ALPHA-AMINO-ACID DERIVATIVES Syngenta Participations AG (CH) 2006-05-31 — — EP disclosed
WO-2005021490-A2 N-SULFONYL-α-AMINO-ACID DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2005-03-10 — — 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 (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-20070155748-A1 N-sulfonyl-alpha-amino-acid derivatives C3AR1, GLRA1, C5AR1 CYP1A2 838/4885CYP2D6 615/4885CYP2C9 201/4885

“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.

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