SCHEMBL668734

SCHEMBL668734

c1cnc(-c2cc[nH]n2)c(-c2cc[nH]n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.41
NSD2 O96028 2/20 0.41
PAX8 Q06710 2/20 0.41
ABL1 P00519 1/20 0.41
PLCG1 P19174 1/20 0.41
CES1 P23141 1/20 0.41
RIN1 Q13671 1/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.41
S100A4 P26447 4/20 0.37
CDC25B P30305 3/20 0.37
PTPRC P08575 2/20 0.37
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
PTPN13 Q12923 1/20 0.37
PADI1 Q9ULC6 2/20 0.37

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
SCHEMBL30371886 0.90 LRRK2 (0.42) BLMTDP1PTPRCCTSLCTSS
SCHEMBL249961 0.90 LRRK2 (0.42) BLMTDP1PTPRCCTSLCTSS
SCHEMBL28084904 0.87 TDP2 (0.34) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL17354059 0.85 PTPRC (0.33) TDP2NSD2PAX8ABL1PLCG1
Oxalic Acid SCHEMBL28571729 0.80 PTGS1 (0.43) TDP2NSD2PAX8ABL1PLCG1
Oxalic Acid SCHEMBL28577579 0.80 PTGS1 (0.43) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL2147475 0.79 GABRG2 (0.39) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL5255739 0.79 MAPT (0.43) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL1924875 0.79 CNR2 (0.35) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL4240536 0.79 MAP4K4 (0.43) TDP2NSD2PAX8ABL1PLCG1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2096499-A1 Toner compositions Xerox Corporation (US) 2009-09-02 EP claimed
US-20090214972-A1 TONER COMPOSITIONS XEROX CORPORATION (US) 2009-08-27 US claimed
US-20050214759-A1 Enzymatic redox labelling of nucleic acids WLASSOF WJATSCHESSLAW 2005-09-29 US claimed
EP-1468006-A1 ENZYMATIC REDOX LABELLING OF NUCLEIC ACIDS UNISEARCH LIMITED (AU) 2004-10-20 EP claimed
WO-2003055898-A1 ENZYMATIC REDOX LABELLING OF NUCLEIC ACIDS UNISEARCH LIMITED (AU) 2003-07-10 WO claimed
WO-2023183813-A2 BORON-CAPPED CLATHROCHELATE AND MACROCYCLIC LIGANDS AND METAL COMPLEXES THEREOF U-REIF INVESTMENTS LIMITED PARTNERSHIP (CA) 2023-09-28 WO disclosed
US-20200129645-A1 CONTRAST AGENTS FOR MAGNETIC RESONANCE IMAGING GEORG-AUGUST-UNIVERSITAET GOETTINGEN STIFTUNG OEFFENTLICHEN RECHTS (DE) 2020-04-30 US disclosed
EP-3641835-A1 CONTRAST AGENTS FOR MAGNETIC RESONANCE IMAGING Georg-August-Universität Göttingen Stiftung Öffentlichen Rechts (DE) 2020-04-29 EP disclosed
EP-2816038-B1 HOPO CHELATORS LUMIPHORE INC (US) 2019-11-20 EP disclosed
US-10352938-B2 Macrocyclic HOPO chelators LUMIPHORE, INC. (US) 2019-07-16 US disclosed
WO-2018234236-A1 CONTRAST AGENTS FOR MAGNETIC RESONANCE IMAGING GEORG-AUGUST-UNIVERSITAET GOETTINGEN STIFTUNG OEFFENTLICHEN RECHTS (DE) 2018-12-27 WO disclosed
US-20160320399-A1 MACROCYCLIC HOPO CHELATORS LUMIPHORE, INC. 2016-11-03 US disclosed
WO-2011025790-A1 MACROCYCLIC HOPO CHELATORS LUMIPHORE, INC. (US) 2011-03-03 WO disclosed
US-20100173239-A1 LOW MELT COLOR TONERS WITH FLUORESCENCE AGENTS XEROX CORPORATION (US) 2010-07-08 US disclosed
EP-2096499-A1 Toner compositions Xerox Corporation (US) 2009-09-02 EP disclosed
US-20090214972-A1 TONER COMPOSITIONS XEROX CORPORATION (US) 2009-08-27 US disclosed
WO-2006106930-A1 NUCLEIC ACID PROBE CONTAINING Eu3+ COMPLEX AND METHOD OF ANALYZING NUCLEIC ACID BY USING THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2006-10-12 WO disclosed
US-20050214759-A1 Enzymatic redox labelling of nucleic acids WLASSOF WJATSCHESSLAW 2005-09-29 US disclosed
EP-1468006-A1 ENZYMATIC REDOX LABELLING OF NUCLEIC ACIDS UNISEARCH LIMITED (AU) 2004-10-20 EP disclosed
WO-2003055898-A1 ENZYMATIC REDOX LABELLING OF NUCLEIC ACIDS UNISEARCH LIMITED (AU) 2003-07-10 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-20160320399-A1 MACROCYCLIC HOPO CHELATORS PHPT1, SSB, CD69 TDP2 3912/4885NSD2 4222/4885PAX8 2638/4885
US-10352938-B2 Macrocyclic HOPO chelators PHPT1, SSB, CD69 TDP2 3912/4885NSD2 4222/4885PAX8 2638/4885
US-20200129645-A1 CONTRAST AGENTS FOR MAGNETIC RESONANCE IMAGING ATP1A2, ADORA1, ADORA3 TDP2 4081/4885NSD2 2831/4885PAX8 3374/4885

“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.