SCHEMBL9906204

SCHEMBL9906204

Cc1ccc(S(=O)(=O)NCCN(CC(Cc2ccc([N+](=O)[O-])cc2)NS(=O)(=O)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 4/20 0.48
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
MMP1 P03956 3/20 0.44
MMP2 P08253 3/20 0.44
MMP9 P14780 3/20 0.44
MMP8 P22894 3/20 0.44
MMP13 P45452 3/20 0.44
CA2 P00918 3/20 0.43
CA1 P00915 2/20 0.43
CA9 Q16790 1/20 0.43
CA7 P43166 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL10384808 0.90 BMP1 (0.49) MEN1KMT2AALDH1A1GAACA2
SCHEMBL9906199 0.89 MMP1 (0.45) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL10385433 0.89 BMP1 (0.49) MEN1KMT2AALDH1A1GAACA2
SCHEMBL13558102 0.88 MMP1 (0.47) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL13558569 0.85 ALDH1A1 (0.48) MEN1KMT2AALDH1A1GAACA2
SCHEMBL14421867 0.81 MEN1 (0.56) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL4094207 0.78 MEN1 (0.53) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL598734 0.78 MEN1 (0.55) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL9186113 0.76 ALDH1A1 (0.52) MEN1KMT2AALDH1A1CA2CA1
SCHEMBL598551 0.74 ALDH1A1 (0.77) MEN1KMT2AALDH1A1GAACA2

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-2004642-B1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS Nordion (Canada) Inc (CA) 2017-07-26 EP disclosed
US-8518715-B2 Bifunctional polyazamacrocyclic chelating agents NORDION (CANADA) INC. (CA) 2013-08-27 US disclosed
US-8518715-B2 Bifunctional polyazamacrocyclic chelating agents NORDION (CANADA) INC. (CA) 2013-08-27 US disclosed
US-20120276001-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS Nordion (Canada) Inc (CA) 2012-11-01 US disclosed
US-8198101-B2 Bifunctional polyazamacrocyclic chelating agents NORDION (CANADA) INC. (CA) 2012-06-12 US disclosed
US-8198101-B2 Bifunctional polyazamacrocyclic chelating agents NORDION (CANADA) INC. (CA) 2012-06-12 US disclosed
US-20090202521-A1 Bifunctional Polyazamacrocyclic Chelating Agents MDS (CANADA) INC. (CA) 2009-08-13 US disclosed
US-20090202521-A1 Bifunctional Polyazamacrocyclic Chelating Agents MDS (CANADA) INC. (CA) 2009-08-13 US disclosed
WO-2007104135-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS MDS (CANADA) INC. (CA) 2007-09-20 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 (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-20090202521-A1 Bifunctional Polyazamacrocyclic Chelating Agents LPXN, FCGRT, POLQ MEN1 691/4885KMT2A 900/4885RAB9A 1686/4885
US-20120276001-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS LPXN, FCGRT, F13A1 MEN1 497/4885KMT2A 999/4885RAB9A 1691/4885

“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.