SCHEMBL14505698

SCHEMBL14505698

C#CCOc1cc(-n2nc(C(C)(C)C)oc2=O)c(Cl)cc1C

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPOX P50336 17/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
NR1I2 O75469 1/20 0.57

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
SCHEMBL39055 0.91 PPOX (0.65) PPOXMEN1KMT2ATDP1NR1I2
Acetone SCHEMBL532802 0.88 PPOX (0.61) PPOXMEN1KMT2ATDP1NR1I2
Isopropylamine SCHEMBL19641800 0.87 PPOX (0.66) PPOXMEN1KMT2ATDP1NR1I2
Oxadiazon SCHEMBL4659772 0.85 PPOX (0.79) PPOXMEN1KMT2ATDP1NR1I2
SCHEMBL10437860 0.84 PPOX (0.53) PPOXMEN1KMT2ATDP1NR1I2
SCHEMBL20425261 0.84 PPOX (0.57) PPOXMEN1KMT2ATDP1NR1I2
Ioxynil SCHEMBL7581894 0.82 PPOX (0.52) PPOXMEN1KMT2ATDP1NR1I2
Bromoxynil SCHEMBL7585229 0.81 PPOX (0.51) PPOXMEN1KMT2ATDP1NR1I2
Mecoprop SCHEMBL7577923 0.81 PPOX (0.53) PPOXMEN1KMT2ATDP1NR1I2
Simazine SCHEMBL7579114 0.80 PPOX (0.52) PPOXMEN1KMT2ATDP1NR1I2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070123425-A1 AQUEOUS SUSPENSION CONCENTRATES BAYER CROPSCIENCE GMBH (DE) 2007-05-31 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-20070123425-A1 AQUEOUS SUSPENSION CONCENTRATES AS3MT, ASH2L, ATL3 PPOX 1197/4885MEN1 4264/4885KMT2A 1686/4885

“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.