SCHEMBL2233973

SCHEMBL2233973

O=[N+]([O-])c1ccc(N2CCN(c3cccnc3)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
SIRT6 Q8N6T7 2/20 0.58
MAPT P10636 3/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ATM Q13315 1/20 0.56
ALDH1A1 P00352 2/20 0.54
ADRB1 P08588 1/20 0.54
GAA P10253 1/20 0.54
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL4553112 0.84 POLB (0.44) POLBSIRT6MAPTMEN1KMT2A
SCHEMBL3439980 0.82 POLB (0.73) POLBSIRT6MAPTMEN1KMT2A
SCHEMBL12952781 0.82 SIRT6 (0.71) POLBSIRT6MAPTMEN1KMT2A
SCHEMBL6151230 0.82 SIRT6 (0.81) POLBSIRT6MAPTMEN1KMT2A
SCHEMBL15271381 0.82 SIRT6 (0.81) POLBSIRT6MAPTMEN1KMT2A
SCHEMBL8310107 0.82 ALDH1A1 (0.57) POLBMAPTMEN1KMT2AATM
SCHEMBL1645682 0.82 HSD11B1 (0.60) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL7832804 0.81 HDAC1 (0.57) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL31683275 0.79 SIRT6 (0.62) POLBSIRT6MAPTMEN1KMT2A
SCHEMBL7987707 0.78 MAPT (0.70) POLBSIRT6MAPTMEN1KMT2A

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 9 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
EP-2097413-B1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2013-12-25 EP disclosed
US-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY F2G LTD (GB) 2011-07-28 US disclosed
US-4788196-A Phenyl piperazine anti-arrhythmia agents PFIZER INC. (US) 1988-11-29 US disclosed
EP-0244115-A2 Phenyl-piperazine anti-arrhythmia agents Pfizer Limited (GB) 1987-11-04 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 (3 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 POLB 824/4885SIRT6 3850/4885MAPT 16/4885
US-20110183969-A1 ANTIFUNGAL COMBINATION THERAPY IDO1, FOXM1, IPO5 POLB 4825/4885SIRT6 1636/4885MAPT 1771/4885
US-20200316232-A1 RADIOLABELED COMPOUNDS SNCA, APP, BACE1 POLB 836/4885SIRT6 3927/4885MAPT 17/4885

“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.