SCHEMBL6182361

SCHEMBL6182361

Cc1cnc(-n2ccc(C(F)(F)F)n2)nc1S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.41
IDH1 O75874 7/20 0.40
IDH2 P48735 1/20 0.40
PTGS2 P35354 8/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
PTGS1 P23219 2/20 0.36
SDHB P21912 1/20 0.34
BCL6 P41182 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL6183941 0.77 PRMT6 (0.42) PRMT6IDH1IDH2NPC1MAPT
SCHEMBL5551870 0.76 PTGS2 (0.35) PTGS2PTGS1
SCHEMBL13719394 0.74 IDH1 (0.43) PRMT6IDH1IDH2PTGS2NPC1
SCHEMBL5206965 0.71 CNR2 (0.47) NPC1MAPTRAB9A
SCHEMBL7877675 0.71 GABRA1 (0.37) PRMT6IDH1IDH2NPC1MAPT
SCHEMBL8015522 0.70 ALDH1A1 (0.48) PTGS2MAPTSDHB
SCHEMBL8131650 0.70 PRMT6 (0.42) PRMT6IDH1IDH2NPC1MAPT
SCHEMBL13719485 0.69 IDH1 (0.51) PRMT6IDH1IDH2NPC1MAPT
SCHEMBL5209985 0.69 HSP90AA1 (0.39) PRMT6IDH1IDH2MAPTRAB9A
SCHEMBL7873623 0.69 ALDH1A1 (0.44) MAPT

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-1421080-B1 N-HETEROCYCLYL SUBSTITUTED THIENYLOXY-PYRIMIDINES USED AS HERBICIDES BASF AG (DE) 2005-02-09 EP disclosed
US-20040198758-A1 N-heterocyclyl substituted thienyloxy-pyrimidines used as herbicides BASF AKTIENGESELLSCHAFT (DE) 2004-10-07 US disclosed
US-6172005-B1 CONTROLLING UNDESIRABLE VEGETATION E. I. DU PONT DE NEMOURS AND COMPANY 2001-01-09 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-20040198758-A1 N-heterocyclyl substituted thienyloxy-pyrimidines used as herbicides CBR3, CBR1, CBX8 PRMT6 2296/4885IDH1 214/4885IDH2 361/4885

“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.