SCHEMBL2038697

SCHEMBL2038697

CN1C[CH]C([N+](=O)[O-])CC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.32
SIRT6 Q8N6T7 1/20 0.31
ACHE P22303 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 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
SCHEMBL2046139 0.78
SCHEMBL2041202 0.70
SCHEMBL12658989 0.69 NCF1 (0.36) KMT2ASIRT6ACHENOS3NOS1
SCHEMBL2040359 0.67 SIRT6 (0.31) SIRT6
SCHEMBL2045308 0.66
SCHEMBL5627593 0.65
SCHEMBL2045513 0.64
SCHEMBL2043522 0.64
SCHEMBL9947428 0.64 NCF1 (0.32) ACHE
SCHEMBL2046997 0.62 HRH3 (0.33) KMT2A

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-20120291159-A1 Azoline Compounds for Combating Invertebrate Pests BASF SE (DE) 2012-11-15 US disclosed
WO-2011073444-A2 AZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2011-06-23 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-20120291159-A1 Azoline Compounds for Combating Invertebrate Pests CRY1, PIR, DDT KMT2A 366/4885SIRT6 2879/4885ACHE 30/4885

“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.