SCHEMBL6729620

SCHEMBL6729620

CCC(=O)NS(=O)(=O)c1cc(-n2nc3ccc(Cl)cn3c2=O)c(F)cc1C#N

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 4/20 0.36
ACLY P53396 1/20 0.33
AGTR1 P30556 6/20 0.32
AGTR2 P50052 6/20 0.32
DHODH Q02127 3/20 0.32
TRPV4 Q9HBA0 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
RRM1 P23921 1/20 0.30
RRM2B Q7LG56 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
SCHEMBL6724492 0.87 GPR139 (0.35) GPR139ACLYTRPV4CHRM2CHRM1
SCHEMBL6729888 0.82 ACLY (0.32) GPR139ACLYTRPV4ALDH1A1
SCHEMBL6729050 0.80 PGR (0.37) GPR139ACLYDHODH
SCHEMBL6724485 0.78 GPR139 (0.34) GPR139TRPV4ALDH1A1GAA
SCHEMBL6727299 0.78 GPR139 (0.33) GPR139DHODH
SCHEMBL7014884 0.78 GPR139 (0.34) GPR139ACLYALDH1A1GAA
SCHEMBL6730520 0.75 S1PR3 (0.36) DHODH
SCHEMBL6724786 0.74 GPR139 (0.30) GPR139
SCHEMBL6729658 0.73 ALDH1A1 (0.38) ALDH1A1POLB
SCHEMBL6728852 0.73 GPR139 (0.35) GPR139DHODHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063580-A1 Bicyclic triazolone derivatives and a herbicides containing the same SUMITOMO CHEMICAL TAKEDA AGRO COMPANY, LIMITED (JP) 2004-04-01 US disclosed
EP-1333031-A1 BICYCLIC TRIAZOLONE DERIVATIVES AND HERBICIDES CONTAINING THE SAME Sumitomo Chemical Takeda Agro Company, Limited (JP) 2003-08-06 EP 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-20040063580-A1 Bicyclic triazolone derivatives and a herbicides containing the same WEE1, WEE2, BAK1 GPR139 1431/4885ACLY 1613/4885AGTR1 100/4885

“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.