SCHEMBL1126486

SCHEMBL1126486

Cc1ccnc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.56
MAPT P10636 8/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
POLB P06746 3/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 2/20 0.51
ATM Q13315 1/20 0.51
ALDH1A1 P00352 4/20 0.49
ADRB1 P08588 1/20 0.49
HTT P42858 1/20 0.48

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
SCHEMBL1018619 0.83 POLB (0.55) SIRT6MAPTSMN1; SMN2POLBMEN1
SCHEMBL12240580 0.82 SIRT6 (0.74) SIRT6MAPTSMN1; SMN2POLBMEN1
SCHEMBL942805 0.81 SIRT6 (0.56) SIRT6MAPTSMN1; SMN2POLBMEN1
SCHEMBL10680801 0.81 SIRT6 (0.59) SIRT6MAPTSMN1; SMN2POLBMEN1
SCHEMBL22495304 0.81 SIRT6 (0.49) SIRT6MAPTSMN1; SMN2POLBMEN1
SCHEMBL1019958 0.80 MEN1 (0.67) SIRT6MAPTSMN1; SMN2POLBMEN1
SCHEMBL1127229 0.79 KMT2A (0.66) SIRT6MAPTSMN1; SMN2POLBMEN1
SCHEMBL18949715 0.79 GRIN2D (0.60) MAPTPOLBMEN1KMT2ALMNA
SCHEMBL1126498 0.79 MAPT (0.50) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL10755174 0.78 HTR1A (0.43) MAPTSMN1; SMN2ALDH1A1HTT

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 14 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
US-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US disclosed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 US disclosed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US disclosed
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP disclosed
EP-2626361-B1 Pyrrole antifungal agents F2G LTD (GB) 2014-10-15 EP disclosed
EP-2626361-A1 Pyrrole antifungal agents F2G Limited (GB) 2013-08-14 EP disclosed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 US disclosed
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO 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 (4 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 16/4885SMN1; SMN2 410/4885
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 SIRT6 1262/4885MAPT 1696/4885SMN1; SMN2 2831/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 SIRT6 1262/4885MAPT 1696/4885SMN1; SMN2 2831/4885
US-20200316232-A1 RADIOLABELED COMPOUNDS SNCA, APP, BACE1 SIRT6 3927/4885MAPT 17/4885SMN1; SMN2 475/4885

“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.