SCHEMBL6730952

SCHEMBL6730952

CCS(=O)(=O)Nc1cc(-n2nc3ccc(Cl)cn3c2=O)c(F)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPOX P50336 1/20 0.37
AR P10275 1/20 0.36
PSIP1 O75475 1/20 0.34
DHODH Q02127 6/20 0.34
GPR139 Q6DWJ6 2/20 0.33
BRAF P15056 2/20 0.33
ACLY P53396 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
PGR P06401 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 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
SCHEMBL6729050 0.88 PGR (0.37) ARPSIP1DHODHGPR139BRAF
SCHEMBL6724655 0.77 SLC5A2 (0.36) DHODHGPR139BRD9
SCHEMBL6727367 0.76 PPOX (0.43) PPOXDHODH
SCHEMBL6728750 0.75 TDP1 (0.35) DHODHGPR139BRD9
SCHEMBL6730676 0.74 ALDH1A1 (0.36) DHODHGPR139
SCHEMBL6727419 0.72 GPR139 (0.36) DHODHGPR139
SCHEMBL10521335 0.72 PSIP1 (0.36) PPOXARPSIP1BRAFEGLN1
SCHEMBL6733790 0.71 KMT2A (0.33) PPOXDHODH
SCHEMBL6729309 0.71 DHODH (0.44) ARPSIP1DHODHGPR139PGR
SCHEMBL6724492 0.71 GPR139 (0.35) GPR139ACLY

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 PPOX 3599/4885AR 87/4885PSIP1 4678/4885

“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.