SCHEMBL1006750

SCHEMBL1006750

NC(=O)c1nn2c(c1[N+](=O)[O-])C(=O)CCC2

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP11B2 P19099 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
SCHEMBL1006748 0.87 ALDH1A1 (0.32) SMN1; SMN2ALDH1A1
SCHEMBL1007963 0.78 LMNA (0.33) CYP11B2
SCHEMBL6383925 0.77 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1
SCHEMBL1007761 0.77 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1
SCHEMBL1006877 0.77 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL6381321 0.76 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1
SCHEMBL6381472 0.70 HPGD (0.34) SMN1; SMN2ALDH1A1
SCHEMBL6381151 0.69 HPGD (0.38) SMN1; SMN2ALDH1A1
SCHEMBL6427012 0.68 ALDH1A1 (0.34) SMN1; SMN2ALDH1A1
SCHEMBL6383363 0.65 CTPS1 (0.43) SMN1; SMN2ALDH1A1

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-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP 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-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 SMN1; SMN2 3616/4885ALDH1A1 614/4885CYP11B2 962/4885

“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.