SCHEMBL6729888

SCHEMBL6729888

N#Cc1cc(F)c(-n2nc3ccc(Cl)cn3c2=O)cc1S(N)(=O)=O

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.32
TRPV4 Q9HBA0 2/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
GPR139 Q6DWJ6 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 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) ACLYTRPV4GPR139
SCHEMBL6724485 0.86 GPR139 (0.34) TRPV4GPR139ALDH1A1
SCHEMBL7014884 0.85 GPR139 (0.34) ACLYGPR139MEN1ALDH1A1KMT2A
SCHEMBL6729620 0.82 GPR139 (0.36) ACLYTRPV4GPR139ALDH1A1
SCHEMBL6729658 0.80 ALDH1A1 (0.38) ALDH1A1
SCHEMBL6730520 0.80 S1PR3 (0.36) MEN1KMT2A
SCHEMBL6729050 0.80 PGR (0.37) ACLYGPR139
SCHEMBL6728852 0.78 GPR139 (0.35) GPR139ALDH1A1
SCHEMBL6735913 0.77 BCAT2 (0.33) TRPV4GPR139KMT2A
SCHEMBL6727299 0.76 GPR139 (0.33) GPR139

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 ACLY 1613/4885TRPV4 413/4885CA12 4059/4885

“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.