SCHEMBL19911397

SCHEMBL19911397

[N-]=[N+]=NS(=O)(=O)n1cnc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
KMT2A Q03164 4/20 0.54
MAPT P10636 3/20 0.54
GAA P10253 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.54
HTT P42858 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
ALOX5 P09917 1/20 0.46
HPGD P15428 2/20 0.44
PKM P14618 1/20 0.44
FGFR1 P11362 2/20 0.40
BRD4 O60885 1/20 0.38
KCNH2 Q12809 1/20 0.38
MEN1 O00255 2/20 0.38
MET P08581 1/20 0.37
NR1I2 O75469 1/20 0.37

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
SCHEMBL19911388 0.90 FGFR1 (0.48) ALDH1A1KMT2AMAPTGAASMN1; SMN2
SCHEMBL19848217 0.79 HTT (0.44) ALDH1A1KMT2AMAPTGAASMN1; SMN2
SCHEMBL19848700 0.79 ALDH3A1 (0.42) ALDH1A1KMT2AMAPTGAASMN1; SMN2
SCHEMBL19911415 0.79 MAPT (0.42) ALDH1A1KMT2AMAPTGAASMN1; SMN2
SCHEMBL19911373 0.79 ALDH1A1 (0.64) ALDH1A1KMT2AMAPTGAASMN1; SMN2
SCHEMBL19911540 0.78 ALDH1A1 (0.37) ALDH1A1KMT2AMAPTGAASMN1; SMN2
SCHEMBL19848341 0.76 GABRP (0.38) ALDH1A1KMT2AMAPTGAASMN1; SMN2
SCHEMBL19848512 0.76 USP2 (0.39) ALDH1A1KMT2AMAPTGAASMN1; SMN2
SCHEMBL19848379 0.76 HTT (0.46) ALDH1A1MAPTGAASMN1; SMN2HTT
SCHEMBL19911298 0.76 ALDH3A1 (0.49) ALDH1A1KMT2AGAAHTTL3MBTL1

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-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2018-03-01 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-20180062213-A1 Nonaqueous Electrolyte and Nonaqueous Secondary Battery BPTF, BRD4, KCNN2 ALDH1A1 3497/4885KMT2A 458/4885MAPT 1283/4885

“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.