SCHEMBL1187239

SCHEMBL1187239

O=C1c2ncccc2N=N[N+]1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 3/20 0.39
NSD2 O96028 3/20 0.39
PAX8 Q06710 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
ABL1 P00519 1/20 0.39
PLCG1 P19174 1/20 0.39
CES1 P23141 1/20 0.39
RIN1 Q13671 1/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
S100A4 P26447 5/20 0.36
CDC25B P30305 3/20 0.36
PTPRC P08575 2/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
PTPN13 Q12923 1/20 0.36
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL19205274 0.75 TDP2 (0.30) TDP2NSD2PAX8TDP1ABL1
SCHEMBL1187365 0.70 TDP1 (0.44) TDP2NSD2PAX8TDP1ABL1
SCHEMBL300666 0.70 TDP2 (0.46) TDP2NSD2PAX8TDP1ABL1
SCHEMBL28654085 0.69 NAPRT (0.31)
SCHEMBL388585 0.67 TDP2 (0.48) TDP2NSD2PAX8TDP1ABL1
SCHEMBL32689420 0.65 TDP1 (0.39) TDP2NSD2PAX8TDP1ABL1
SCHEMBL32689421 0.63 TDP1 (0.38) TDP2NSD2PAX8TDP1ABL1
SCHEMBL1895059 0.61 TDP1 (0.37) TDP2NSD2PAX8TDP1ABL1
SCHEMBL31288011 0.61 TDP1 (0.37) TDP2NSD2PAX8TDP1ABL1
SCHEMBL2065716 0.60 S100A4 (0.45) TDP2NSD2PAX8TDP1ABL1

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
US-8471006-B2 Coupling agents for peptide synthesis UNIVERSITY OF MASSACHUSETTS (US) 2013-06-25 US disclosed
US-20120277428-A1 NEW COUPLING AGENTS FOR PEPTIDE SYNTHESIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-01 US disclosed
US-8217169-B2 Coupling agents for peptide synthesis UNIVERSITY OF MASSACHUSETTS (US) 2012-07-10 US disclosed
US-20110028720-A1 New Coupling Agents for Peptide Synthesis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-03 US disclosed
US-7812158-B2 Coupling agents for peptide synthesis UNIVERSITY OF MASSACHUSETTS (US) 2010-10-12 US disclosed
EP-1687318-A4 NEW COUPLING AGENTS FOR PEPTIDE SYNTHESIS UNIV MASSACHUSETTS (US) 2009-01-07 EP disclosed
US-20070112196-A1 New coupling agents for peptide synthesis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-17 US disclosed
EP-1687318-A2 NEW COUPLING AGENTS FOR PEPTIDE SYNTHESIS University of Massachusetts (US) 2006-08-09 EP disclosed
WO-2005042562-A2 NEW COUPLING AGENTS FOR PEPTIDE SYNTHESIS THE UNIVERSITY OF MASSACHUSETTS (US) 2005-05-12 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 (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-20120277428-A1 NEW COUPLING AGENTS FOR PEPTIDE SYNTHESIS NGLY1, NPPA, VIP TDP2 4675/4885NSD2 4234/4885PAX8 3679/4885
US-20070112196-A1 New coupling agents for peptide synthesis NGLY1, NPPA, VIP TDP2 4595/4885NSD2 4455/4885PAX8 3649/4885
US-20110028720-A1 New Coupling Agents for Peptide Synthesis NGLY1, NPPA, VIP TDP2 4675/4885NSD2 4234/4885PAX8 3679/4885

“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.