SCHEMBL19911545

SCHEMBL19911545

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
MAPT P10636 5/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NSD2 O96028 1/20 0.42
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41
HPGD P15428 1/20 0.40
MGAM O43451 1/20 0.40
AMY1A P0DUB6 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL19911575 0.88 MGAM (0.43) ALDH1A1MAPTKMT2AGAASMN1; SMN2
SCHEMBL11077590 0.82 SLC9A1 (0.61) ALDH1A1MAPTKMT2AGAASMN1; SMN2
SCHEMBL28827604 0.82 ALDH1A1 (0.39) ALDH1A1MAPTKMT2AGAASMN1; SMN2
SCHEMBL29887250 0.82 ALDH1A1 (0.39) ALDH1A1MAPTKMT2AGAASMN1; SMN2
SCHEMBL19911560 0.81 SLC9A1 (0.61) ALDH1A1MAPTKMT2ASMN1; SMN2HTT
SCHEMBL19911540 0.79 ALDH1A1 (0.37) ALDH1A1MAPTKMT2AGAASMN1; SMN2
SCHEMBL210082 0.78 NSD2 (0.61) ALDH1A1MAPTKMT2AL3MBTL1NSD2
SCHEMBL19911566 0.77 MGAM (0.52) ALDH1A1MAPTKMT2AGAASMN1; SMN2
SCHEMBL19911477 0.76 SLC9A1 (0.49) ALDH1A1KMT2AGAASMN1; SMN2L3MBTL1
SCHEMBL19911538 0.76 SLC9A1 (0.45) ALDH1A1KMT2ASMN1; SMN2HTTL3MBTL1

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.