SCHEMBL6175451

SCHEMBL6175451

C=CC(=O)N(c1cc(-n2ncc(=O)n(C)c2=O)c(F)cc1C#N)S(=O)(=O)CC

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BCL2A1 Q16548 1/20 0.33
HTR1A P08908 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 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
SCHEMBL6174881 0.84 HTR1A (0.34) HTR1AADRA1DADRA1AADRA1B
SCHEMBL6173734 0.82 HTR1A (0.33) HTR1AADRA1DADRA1AADRA1B
SCHEMBL7754472 0.82 BCL2A1 (0.31) BCL2A1
SCHEMBL6974485 0.74 DHODH (0.37)
SCHEMBL7101307 0.73 HTR1A (0.33) HTR1AADRA1DADRA1AADRA1B
SCHEMBL6174842 0.73 PGR (0.41) HTR1AADRA1DADRA1AADRA1B
SCHEMBL8672829 0.71 BCAT2 (0.32)
SCHEMBL6174205 0.70 PGR (0.34) HTR1AADRA1DADRA1AADRA1B
SCHEMBL6699122 0.68 BCAT2 (0.33)
SCHEMBL6703631 0.67 BCAT2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189893-B1 SUBSTITUTED 2-ARYL-1,2,4-TRIAZINE-3,5-DI(THI)ONE BAYER CROPSCIENCE AG (DE) 2005-09-07 EP disclosed
US-6608004-B2 Nitrogen compounds such as 2-(5-(N-phenoxy-carbonyl-N-ethyl-sulphonylamino)-4-cyano-2-fluoro-phenyl)-4-methyl-1,2,4-triazine-3,5(2H,4H)-dione, used as postemergence herbicides BAYER AKTIENGESELLSCHAFT (DE) 2003-08-19 US disclosed
US-20030069140-A1 Substitutes 2-aryl-1,2,4-triazine-3,5-di(thi)one BAYER AKTIENGESELLSCHAFT (DE) 2003-04-10 US disclosed
EP-1189893-A2 SUBSTITUTED 2-ARYL-1,2,4-TRIAZINE-3,5-DI(THI)ONE Bayer Aktiengesellschaft (DE) 2002-03-27 EP disclosed
WO-2000075119-A2 SUBSTITUTED 2-ARYL-1,2,4-TRIAZINE-3,5-DI(THI)ONES USED AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-14 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-20030069140-A1 Substitutes 2-aryl-1,2,4-triazine-3,5-di(thi)one DDT, SULT1E1, CYP1A1 BCL2A1 728/4885HTR1A 276/4885ADRA1D 241/4885

“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.