SCHEMBL19911571

SCHEMBL19911571

O=[N+]([O-])c1ccc2nnn(S(=O)(=O)c3cccnc3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.45
MET P08581 2/20 0.42
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALPL P05186 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FGFR1 P11362 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 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
SCHEMBL19911538 0.91 SLC9A1 (0.45) SLC9A1METCYP2C19RAB9AALDH1A1
SCHEMBL19911567 0.87 SLC9A1 (0.61) SLC9A1METCYP2C19ALDH1A1LMNA
SCHEMBL19848586 0.81 SLC9A1 (0.49) SLC9A1METCYP2C19ALDH1A1LMNA
SCHEMBL19911488 0.81 SLC9A1 (0.54) SLC9A1CYP2C19ALDH1A1LMNAMAPK1
SCHEMBL19848386 0.81 SLC9A1 (0.49) SLC9A1CYP2C19MEN1KMT2A
SCHEMBL19911391 0.79 MET (0.53) METRAB9AALDH1A1LMNAL3MBTL1
SCHEMBL29479890 0.79 SLC9A1 (0.72) SLC9A1CYP2C19ALDH1A1LMNAMAPK1
SCHEMBL4339723 0.79 SLC9A1 (0.72) SLC9A1CYP2C19ALDH1A1LMNAMAPK1
SCHEMBL19848252 0.78 SMN1; SMN2 (0.52) SLC9A1METLMNAL3MBTL1SMN1; SMN2
SCHEMBL19848163 0.78 SLC9A1 (0.46) SLC9A1CYP2C19LMNAALPL

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 SLC9A1 341/4885MET 4769/4885CYP2C19 1476/4885

“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.