SCHEMBL2046997

SCHEMBL2046997

CN1[CH]C([N+](=O)[O-])CCC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.33
CHRNB4 P30926 3/20 0.32
CHRNA3 P32297 3/20 0.32
CHRM3 P20309 1/20 0.30
MAPT P10636 2/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 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
SCHEMBL2041202 0.87
SCHEMBL2041576 0.66
SCHEMBL2043827 0.66
SCHEMBL2038606 0.64 ALDH1A1 (0.30) ALDH1A1
SCHEMBL2040541 0.64
SCHEMBL2042348 0.64
SCHEMBL3359573 0.64
SCHEMBL27970973 0.62 SMN1; SMN2 (0.34) HRH3CHRM3MAPTALDH1A1KMT2A
SCHEMBL2038697 0.62 KMT2A (0.32) KMT2A
SCHEMBL2037808 0.61

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 HRH3 338/4885CHRNB4 3953/4885CHRNA3 3192/4885

“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.