SCHEMBL22495982

SCHEMBL22495982

CS(=O)(=O)c1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.68
MAPT P10636 6/20 0.64
ALDH1A1 P00352 5/20 0.64
POLB P06746 1/20 0.63
LMNA P02545 2/20 0.60
HSD11B1 P28845 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.58
KCNJ1 P48048 1/20 0.58
KCNH2 Q12809 1/20 0.58
ADRB1 P08588 1/20 0.58
SLC6A9 P48067 1/20 0.57
SLC6A5 Q9Y345 1/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
GAA P10253 1/20 0.54

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
SCHEMBL15271381 0.86 SIRT6 (0.81) SIRT6MAPTALDH1A1POLBLMNA
SCHEMBL6151230 0.86 SIRT6 (0.81) SIRT6MAPTALDH1A1POLBLMNA
SCHEMBL2719030 0.85 MAPT (0.71) SIRT6MAPTALDH1A1POLBLMNA
Ammonia Solution, Strong SCHEMBL27607340 0.84 MAPT (0.69) SIRT6MAPTALDH1A1POLBLMNA
SCHEMBL515001 0.84 CA1 (0.61) ALDH1A1KCNJ1KCNH2
SCHEMBL12240580 0.81 SIRT6 (0.74) SIRT6MAPTALDH1A1POLBLMNA
SCHEMBL447471 0.81 SIRT6 (1.00) SIRT6MAPTALDH1A1POLBLMNA
SCHEMBL4248705 0.81 MAPT (0.69) SIRT6MAPTALDH1A1POLBLMNA
SCHEMBL7048817 0.80 MAPT (0.85) SIRT6MAPTALDH1A1POLBLMNA
SCHEMBL1815442 0.79 SIRT6 (0.61) SIRT6MAPTALDH1A1POLBLMNA

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-3728234-B1 RADIOLABELED COMPOUNDS HOFFMANN LA ROCHE (CH) 2025-05-14 EP disclosed
US-11541132-B2 Radiolabeled compounds HOFFMANN-LA ROCHE INC. (US) 2023-01-03 US disclosed
EP-3728234-A1 RADIOLABELED COMPOUNDS F. Hoffmann-La Roche AG (CH) 2020-10-28 EP disclosed
US-20200316232-A1 RADIOLABELED COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-10-08 US disclosed
CN-111511732-A Radiolabelled compounds 豪夫迈·罗氏有限公司 2020-08-07 CN 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 (2 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-11541132-B2 Radiolabeled compounds SNCA, APP, BACE1 SIRT6 3850/4885MAPT 16/4885ALDH1A1 1769/4885
US-20200316232-A1 RADIOLABELED COMPOUNDS SNCA, APP, BACE1 SIRT6 3927/4885MAPT 17/4885ALDH1A1 1757/4885

“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.