SCHEMBL19911538

SCHEMBL19911538

O=[N+]([O-])c1ccc2c(c1)nnn2S(=O)(=O)c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.45
MET P08581 2/20 0.42
BRD4 O60885 2/20 0.42
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
ALPL P05186 1/20 0.38
PKM P14618 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL19911571 0.91 SLC9A1 (0.45) SLC9A1METCYP2C19ALDH1A1LMNA
SCHEMBL19911560 0.87 SLC9A1 (0.61) SLC9A1BRD4CYP2C19ALDH1A1LMNA
SCHEMBL11077590 0.81 SLC9A1 (0.61) SLC9A1BRD4CYP2C19ALDH1A1LMNA
SCHEMBL19848122 0.81 SLC9A1 (0.54) SLC9A1CYP2C19ALDH1A1LMNAL3MBTL1
SCHEMBL19911619 0.81 SLC9A1 (0.49) SLC9A1BRD4CYP2C19ALDH1A1LMNA
SCHEMBL19848250 0.81 SLC9A1 (0.49) SLC9A1METBRD4CYP2C19ALDH1A1
SCHEMBL19911370 0.79 ALDH1A1 (0.61) METBRD4ALDH1A1LMNAL3MBTL1
SCHEMBL29479890 0.79 SLC9A1 (0.72) SLC9A1CYP2C19ALDH1A1LMNAL3MBTL1
SCHEMBL4339723 0.79 SLC9A1 (0.72) SLC9A1CYP2C19ALDH1A1LMNAL3MBTL1
SCHEMBL19911519 0.78 SMN1; SMN2 (0.52) SLC9A1METLMNAL3MBTL1KMT2A

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 4769/4885BRD4 2/4885

“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.