SCHEMBL18475729

SCHEMBL18475729

C#CCOc1nc2c(Cl)cc(F)c(N(O)O)c2s1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 2/20 0.31
PGK1 P00558 1/20 0.30

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
SCHEMBL19048795 0.83 PGK1 (0.33) AGPAT2PGK1
SCHEMBL11113555 0.67 PGK1 (0.37) AGPAT2PGK1
SCHEMBL9852614 0.62 GFER (0.47)
SCHEMBL11113691 0.62 LOXL2 (0.48) AGPAT2
SCHEMBL11117595 0.62 PTGS1 (0.47) AGPAT2PGK1
SCHEMBL9852620 0.58 GAA (0.35)
SCHEMBL4592760 0.57 PGK1 (0.43) PGK1
SCHEMBL6729801 0.57 MAOA (0.43) PGK1
SCHEMBL9271367 0.57 PGK1 (0.43) PGK1
SCHEMBL7074465 0.57 PTGS1 (0.54)

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-20170036969-A1 NITRIFICATION INHIBITORS BASF SE (DE) 2017-02-09 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-20170036969-A1 NITRIFICATION INHIBITORS NOS1, NOS2, NOS3 AGPAT2 1047/4885PGK1 1520/4885

“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.