SCHEMBL5036713

SCHEMBL5036713

O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC2C=CC1C2

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
LMNA P02545 2/20 0.58
POLB P06746 2/20 0.58
PKM P14618 1/20 0.52
ACHE P22303 1/20 0.51
KMT2A Q03164 5/20 0.49
MCOLN3 Q8TDD5 1/20 0.49
MEN1 O00255 4/20 0.49
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL18794812 0.81 ALDH1A1 (0.69) ALDH1A1LMNAPOLBPKMACHE
SCHEMBL31390611 0.74 ACHE (0.72) ALDH1A1LMNAPOLBPKMACHE
SCHEMBL1791317 0.74 KMT2A (0.58) ALDH1A1LMNAPOLBPKMACHE
SCHEMBL3227122 0.73 KMT2A (0.70) ALDH1A1LMNAPOLBPKMACHE
SCHEMBL3778136 0.73 ALDH1A1 (0.59) ALDH1A1LMNAPOLBPKMACHE
SCHEMBL3778133 0.73 ALDH1A1 (0.59) ALDH1A1LMNAPOLBPKMACHE
SCHEMBL3227131 0.73 KMT2A (0.70) ALDH1A1LMNAPOLBPKMACHE
SCHEMBL18794875 0.73 ALDH1A1 (0.56) ALDH1A1LMNAPOLBPKMACHE
SCHEMBL6096659 0.73 ALDH1A1 (0.56) ALDH1A1LMNAPOLBPKMACHE
SCHEMBL2014886 0.73 KMT2A (0.60) ALDH1A1LMNAPOLBPKMACHE

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1359152-B1 Diazabicyclic derivatives as nicotinic acetylcholine receptor ligands ABBOTT LAB (US) 2008-05-07 EP disclosed
US-7265115-B2 Diazabicyclic CNS active agents ABBOTT LABORATORIES (US) 2007-09-04 US disclosed
US-20030225268-A1 Diazabicyclic CNS active agents ABBVIE INC. 2003-12-04 US disclosed
EP-1359152-A2 Diazabicyclic derivatives as nicotinic acetylcholine receptor ligands ABBOTT LABORATORIES (US) 2003-11-05 EP disclosed
EP-1147112-B1 DIAZABICYCLIC DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ABBOTT LAB (US) 2003-10-29 EP 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-20030225268-A1 Diazabicyclic CNS active agents GABRE, GRIN1, CNTN1 ALDH1A1 290/4885LMNA 4155/4885POLB 4480/4885

“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.