SCHEMBL3554537

SCHEMBL3554537

CC1C=NC2=C(S1)C(=O)c1cccnc1C2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 3/20 0.45
NSD2 O96028 3/20 0.45
PAX8 Q06710 3/20 0.45
ABL1 P00519 1/20 0.45
PLCG1 P19174 1/20 0.45
CES1 P23141 1/20 0.45
RIN1 Q13671 1/20 0.45
MEN1 O00255 1/20 0.45
THRB P10828 1/20 0.45
BLM P54132 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GAA P10253 1/20 0.45
S100A4 P26447 6/20 0.43
CDC25B P30305 2/20 0.43
PTPRC P08575 2/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
PTPN13 Q12923 1/20 0.41
PADI1 Q9ULC6 3/20 0.40

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
SCHEMBL3554981 0.77 CDC25B (0.42) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL3551561 0.71 PTPRC (0.47) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL5915065 0.69 TDP2 (0.81) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL5915061 0.67 GAA (0.86) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL9267635 0.66 TDP2 (0.74) TDP2NSD2PAX8ABL1PLCG1
Phanquone SCHEMBL7633567 0.65 MEN1 (1.00) TDP2NSD2PAX8ABL1PLCG1
Phanquone SCHEMBL30956643 0.65 MEN1 (1.00) TDP2NSD2PAX8ABL1PLCG1
Phanquone SCHEMBL462025 0.65 MEN1 (1.00) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL460433 0.65 TDP2 (1.00) TDP2NSD2PAX8ABL1PLCG1
SCHEMBL29419580 0.65 TDP2 (1.00) 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 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 TDP2 3066/4885NSD2 4226/4885PAX8 3540/4885

“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.