SCHEMBL19911567

SCHEMBL19911567

O=[N+]([O-])c1ccc2nnn(S(=O)(=O)c3ccccc3)c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.61
CYP2C19 P33261 1/20 0.52
FGFR1 P11362 1/20 0.47
BRD4 O60885 1/20 0.46
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NOD1 Q9Y239 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 2/20 0.42
MGAM O43451 1/20 0.42
AMY1A P0DUB6 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
LMNA P02545 2/20 0.42
PKM P14618 2/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL19911560 0.90 SLC9A1 (0.61) SLC9A1CYP2C19FGFR1BRD4POLB
SCHEMBL19911571 0.87 SLC9A1 (0.45) SLC9A1CYP2C19FGFR1SMN1; SMN2ALDH1A1
SCHEMBL11439834 0.85 SLC9A1 (0.70) SLC9A1CYP2C19POLBNOD1ALDH1A1
SCHEMBL19911575 0.81 MGAM (0.43) FGFR1SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL11456500 0.79 KMT2A (0.46) SLC9A1FGFR1POLBSMN1; SMN2ALDH1A1
SCHEMBL11077590 0.78 SLC9A1 (0.61) SLC9A1CYP2C19BRD4POLBSMN1; SMN2
SCHEMBL19911636 0.78 SLC9A1 (0.68) SLC9A1CYP2C19POLBSMN1; SMN2ALDH1A1
SCHEMBL19848551 0.78 SLC9A1 (0.68) SLC9A1CYP2C19BRD4POLBSMN1; SMN2
SCHEMBL19911490 0.78 SLC9A1 (0.69) SLC9A1CYP2C19POLBSMN1; SMN2NOD1
SCHEMBL19911538 0.77 SLC9A1 (0.45) SLC9A1CYP2C19BRD4SMN1; SMN2ALDH1A1

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 341/4885CYP2C19 1476/4885FGFR1 1543/4885

“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.