SCHEMBL6728852

SCHEMBL6728852

CC(C)Sc1cc(-n2nc3ccc(Cl)cn3c2=O)c(F)cc1C#N

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 3/20 0.35
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DHODH Q02127 4/20 0.31

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
SCHEMBL6724485 0.84 GPR139 (0.34) GPR139KDM4EALDH1A1TDP1
SCHEMBL7014884 0.81 GPR139 (0.34) GPR139KDM4EALDH1A1
SCHEMBL6724664 0.81 RXFP1 (0.35) KDM4EALDH1A1TDP1
SCHEMBL6730520 0.81 S1PR3 (0.36) DHODH
SCHEMBL6729658 0.79 ALDH1A1 (0.38) ALDH1A1
SCHEMBL6729888 0.78 ACLY (0.32) GPR139ALDH1A1
SCHEMBL6724492 0.78 GPR139 (0.35) GPR139
SCHEMBL6729050 0.76 PGR (0.37) GPR139DHODH
SCHEMBL6735913 0.75 BCAT2 (0.33) GPR139DHODH
SCHEMBL6724560 0.74 PPOX (0.35) GPR139KDM4EALDH1A1TDP1DHODH

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 1431/4885KDM4E 1331/4885ALDH1A1 318/4885

“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.