SCHEMBL6489730

SCHEMBL6489730

COC(=O)c1ccc(Cl)c(Cn2ncnn2)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
F10 P00742 1/20 0.36
NPC1 O15118 2/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BUB1 O43683 1/20 0.35
ABL1 P00519 1/20 0.34
NPBWR1 P48145 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PTGS2 P35354 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
NR4A2 P43354 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 3/20 0.33

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
SCHEMBL6479658 0.85 POLB (0.34) POLBF10NPC1MAPTRAB9A
SCHEMBL6481052 0.84 POLB (0.40) POLBF10SMN1; SMN2BUB1ALDH1A1
SCHEMBL6481972 0.84 POLB (0.40) POLBF10NOTUM
SCHEMBL6488316 0.82 POLB (0.34) POLBF10
SCHEMBL6481163 0.81 POLB (0.33) POLB
SCHEMBL6605119 0.80 POLB (0.33) POLBF10MAPTKMT2A
SCHEMBL6490664 0.79 BUB1 (0.38) NPC1MAPTRAB9ANFKB1NFKB2
SCHEMBL8818300 0.78 HDAC1 (0.43) POLBMAPTMEN1KMT2AHTT
SCHEMBL6489376 0.78 TP53 (0.43) POLBF10NPC1MAPTRAB9A
SCHEMBL6491262 0.75 POLB (0.34) POLBF10SMN1; SMN2

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
US-20050090398-A1 Novel tetrazole derivative useful as herbicides YANAGI AKIHIKO (JP) 2005-04-28 US disclosed
EP-1476437-A1 NOVEL TETRAZOLE DERIVATIVE USEFUL AS HERBICIDES Bayer CropScience AG (DE) 2004-11-17 EP disclosed
WO-2003066607-A1 NOVEL TETRAZOLE DERIVATIVE USEFUL AS HERBICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-08-14 WO 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-20050090398-A1 Novel tetrazole derivative useful as herbicides DDT, TTI1, CYP1A1 POLB 3390/4885F10 2051/4885NPC1 4818/4885

“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.