SCHEMBL6174205

SCHEMBL6174205

Cn1c(=O)cnn(-c2cc(NS(C)(=O)=O)c(C#N)cc2F)c1=O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.34
HTR1A P08908 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
PPOX P50336 1/20 0.33
SLC22A12 Q96S37 2/20 0.32
BRD4 O60885 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
SCHEMBL6174842 0.89 PGR (0.41) PGRHTR1AADRA1DADRA1AADRA1B
SCHEMBL10414302 0.83 PPOX (0.46) PPOXBRD4
SCHEMBL6921397 0.83 PPOX (0.34) PPOXBRD4
SCHEMBL6106477 0.82 DHODH (0.40) PGRPPOX
SCHEMBL6316627 0.81 PPOX (0.40) PGRPPOX
SCHEMBL7627173 0.77 PGR (0.35) PGRPPOXBRD4
SCHEMBL6174881 0.77 HTR1A (0.34) HTR1AADRA1DADRA1AADRA1B
SCHEMBL8323113 0.74 PGR (0.35) PGR
SCHEMBL7686693 0.74 PPOX (0.62) PPOX
SCHEMBL8829573 0.74 PPOX (0.35) PPOX

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 3 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

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 PGR 3988/4885HTR1A 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.