SCHEMBL3554981

SCHEMBL3554981

CCCCCCCCC1C=NC2=C(S1)C(=O)c1cccnc1C2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 3/20 0.42
TDP2 O95551 1/20 0.36
NSD2 O96028 1/20 0.36
ABL1 P00519 1/20 0.36
PLCG1 P19174 1/20 0.36
CES1 P23141 1/20 0.36
PAX8 Q06710 1/20 0.36
RIN1 Q13671 1/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.36
S100A4 P26447 3/20 0.36
PTPRC P08575 2/20 0.34
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
PTPN13 Q12923 1/20 0.34
HKDC1 Q2TB90 1/20 0.34

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
SCHEMBL3554537 0.77 TDP2 (0.45) CDC25BTDP2NSD2ABL1PLCG1
SCHEMBL3551561 0.64 PTPRC (0.47) CDC25BTDP2NSD2ABL1PLCG1
SCHEMBL5915065 0.62 TDP2 (0.81) CDC25BTDP2NSD2ABL1PLCG1
SCHEMBL6869667 0.61 CDC25B (0.52) CDC25BTDP2NSD2ABL1PLCG1
SCHEMBL6869485 0.61 CDC25B (0.52) CDC25BTDP2NSD2ABL1PLCG1
SCHEMBL6869513 0.61 CDC25B (0.52) CDC25BTDP2NSD2ABL1PLCG1
SCHEMBL15698467 0.60 S100A4 (0.63) CDC25BTDP2NSD2PAX8MEN1
SCHEMBL5915061 0.60 GAA (0.86) CDC25BTDP2NSD2ABL1PLCG1
SCHEMBL6867361 0.60 CDC25B (0.54) CDC25BTDP2NSD2ABL1PLCG1
SCHEMBL458428 0.59 S100A4 (0.68) CDC25BTDP2NSD2ABL1PLCG1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807668-B2 Anti-inflammatory compounds NEW ZEALAND INSTITUTE FOR CROP & FOOD RESEARCH LIMITED (NZ) 2010-10-05 US disclosed
US-20070265253-A1 Anti-Inflammatory Compounds NEW ZEALAND INSTITUTE FOR CROP & FOOD RESEARCH LIMITED (NZ) 2007-11-15 US disclosed
EP-1789422-A1 ANTI-INFLAMMATORY COMPOUNDS NEW ZEALAND INSTITUTE FOR CROP & FOOD RESEARCH LIMITED (NZ) 2007-05-30 EP disclosed
WO-2006031134-A1 ANTI-INFLAMMATORY COMPOUNDS NEW ZEALAND INSTITUTE FOR CROP & FOOD RESEARCH LIMITED (NZ) 2006-03-23 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 (1 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-20070265253-A1 Anti-Inflammatory Compounds TNF, PTGS1, PTGES CDC25B 3070/4885TDP2 3066/4885NSD2 4226/4885

“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.