SCHEMBL19911540

SCHEMBL19911540

[N-]=[N+]=NS(=O)(=O)n1nnc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
MAPT P10636 4/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NSD2 O96028 1/20 0.35
TXNRD1 Q16881 1/20 0.35
TXNRD3 Q86VQ6 1/20 0.35
TXNRD2 Q9NNW7 1/20 0.35
PKM P14618 3/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
MGAM O43451 1/20 0.33
AMY1A P0DUB6 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33

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
SCHEMBL19911577 0.90 FGFR1 (0.37) ALDH1A1MAPTKMT2AGAAL3MBTL1
SCHEMBL19848355 0.79 L3MBTL1 (0.41) MAPTKMT2AKDM4EL3MBTL1MEN1
SCHEMBL19911620 0.79 KDM4E (0.40) ALDH1A1KMT2AGAASMN1; SMN2KDM4E
SCHEMBL19911545 0.79 ALDH1A1 (0.43) ALDH1A1MAPTKMT2AGAASMN1; SMN2
SCHEMBL19911397 0.78 ALDH1A1 (0.54) ALDH1A1MAPTKMT2AGAASMN1; SMN2
SCHEMBL19848111 0.76 PKM (0.49) ALDH1A1MAPTKMT2AGAASMN1; SMN2
SCHEMBL19848177 0.76 L3MBTL1 (0.49) ALDH1A1MAPTKMT2AGAASMN1; SMN2
SCHEMBL18263627 0.76 SLC9A1 (0.54) ALDH1A1MAPTKMT2AGAASMN1; SMN2
SCHEMBL29887250 0.75 ALDH1A1 (0.39) ALDH1A1MAPTKMT2AGAASMN1; SMN2
SCHEMBL28827604 0.75 ALDH1A1 (0.39) ALDH1A1MAPTKMT2AGAASMN1; SMN2

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 3497/4885MAPT 1283/4885KMT2A 458/4885

“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.