SCHEMBL4236482

SCHEMBL4236482

O=C1C(=O)c2cccnc2-c2ncccc21.O=C1C(=O)c2cccnc2-c2ncccc21.O=C1C(=O)c2cccnc2-c2ncccc21.[Ru]

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 3/20 0.95
NSD2 O96028 3/20 0.95
PAX8 Q06710 3/20 0.95
ABL1 P00519 1/20 0.95
PLCG1 P19174 1/20 0.95
CES1 P23141 1/20 0.95
RIN1 Q13671 1/20 0.95
GAA P10253 1/20 0.86
PTPRC P08575 2/20 0.75
CTSL P07711 1/20 0.75
CTSS P25774 1/20 0.75
PTPN13 Q12923 1/20 0.75
MEN1 O00255 1/20 0.70
THRB P10828 1/20 0.70
BLM P54132 1/20 0.70
KMT2A Q03164 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
S100A4 P26447 6/20 0.63
CDC25B P30305 3/20 0.63
PADI1 Q9ULC6 3/20 0.55

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
SCHEMBL27145668 1.00 TDP2 (0.95) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL29419580 0.97 TDP2 (1.00) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL460433 0.97 TDP2 (1.00) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL3275080 0.95 TDP2 (0.95) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL5696693 0.95 TDP2 (0.95) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL579998 0.92 GAA (1.00) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL29551149 0.92 GAA (1.00) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL30774319 0.92 GAA (1.00) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL5915065 0.87 TDP2 (0.81) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL30385090 0.87 TDP2 (0.79) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050064388-A1 Methods and compositions for treating atheroma, tumors and other neoplastic tissue UNIVERSITY OF TEXAS 2005-03-24 US claimed
US-20210238672-A1 SYSTEMS AND METHODS FOR DETECTION OF BIOMOLECULES QUANTUM BIOSYSTEMS INC (JP) 2021-08-05 US disclosed
WO-2021125310-A1 SYSTEMS AND METHODS FOR DETECTION OF BIOMOLECULES QUANTUM BIOSYSTEMS INC. (JP) 2021-06-24 WO disclosed
US-7579338-B2 Motexafin gadolinium, acetic acid, and water PHARMACYCLICS, INC. (US) 2009-08-25 US disclosed
US-7547689-B2 Methods and compositions for treating atheroma, tumors and other neoplastic tissues PHARMACYCLICS, INC. (US) 2009-06-16 US disclosed
US-20070004699-A1 METHODS AND COMPOSITIONS FOR TREATING ATHEROMA, TUMORS AND OTHER NEOPLASTIC TISSUES PHARMACYCLICS, INC. 2007-01-04 US disclosed
US-7109188-B2 Methods and compositions for treating atheroma, tumors and other neoplastic tissue PHARMACYCLICS, INC. (US) 2006-09-19 US disclosed
US-20060178314-A1 Methods and compositions for treating atheroma, tumors and other neoplastic tissues UNIVERSITY OF TEXAS 2006-08-10 US disclosed
US-20050064388-A1 Methods and compositions for treating atheroma, tumors and other neoplastic tissue UNIVERSITY OF TEXAS 2005-03-24 US disclosed
US-6825186-B1 METAL CONTAINING TEXAPHYRIN PHARMACYCLICS, INC. 2004-11-30 US disclosed
US-20030031676-A1 Conjugate compounds for treating atheroma and other diseases PHARMACYCLICS, INC. 2003-02-13 US 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-20070004699-A1 METHODS AND COMPOSITIONS FOR TREATING ATHEROMA, TUMORS AND OTHER NEOPLASTIC TISSUES GSTK1, NR1H3, NR1H2 TDP2 2290/4885NSD2 4461/4885PAX8 4182/4885
US-20050064388-A1 Methods and compositions for treating atheroma, tumors and other neoplastic tissue NR1H3, GSTK1, NR1H2 TDP2 2192/4885NSD2 4433/4885PAX8 4213/4885
US-20060178314-A1 Methods and compositions for treating atheroma, tumors and other neoplastic tissues CD68, APOB, MEN1 TDP2 1177/4885NSD2 3677/4885PAX8 2038/4885
US-20030031676-A1 Conjugate compounds for treating atheroma and other diseases NQO1, AKR7A2, CYP46A1 TDP2 2007/4885NSD2 4528/4885PAX8 4764/4885

“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.