SCHEMBL3540607

SCHEMBL3540607

O=C1C2=C(SCC=N2)C(=O)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 3/20 0.52
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CDC25B P30305 2/20 0.39
MAPT P10636 5/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MAOA P21397 3/20 0.38
PTPRC P08575 3/20 0.38
NPC1 O15118 3/20 0.38
APAF1 O14727 2/20 0.38
TDP2 O95551 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 2/20 0.38
CES1 P23141 2/20 0.38
BLM P54132 2/20 0.38
CES2 O00748 1/20 0.38
TERT O14746 1/20 0.38

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
SCHEMBL3551561 0.82 PTPRC (0.47) S100A4MEN1KMT2ACDC25BPTPRC
SCHEMBL18222307 0.69 NOTUM (0.33) RAB9ANPC1MAPK1ALDH1A1
SCHEMBL2599344 0.69 S100A4 (1.00) S100A4MEN1KMT2ACDC25BMAPT
SCHEMBL44015 0.68 S100A4 (0.39) S100A4MEN1KMT2ACDC25BMAPT
SCHEMBL2458272 0.67 S100A4 (0.52) S100A4MEN1KMT2ACDC25BMAPT
SCHEMBL4657699 0.62 S100A4 (0.67) S100A4MEN1KMT2ACDC25BMAPT
Anthraquinone SCHEMBL29358690 0.61 MEN1 (1.00) S100A4MEN1KMT2ACDC25BMAPT
Anthraquinone SCHEMBL1901249 0.61 MEN1 (1.00) S100A4MEN1KMT2ACDC25BMAPT
Anthraquinone SCHEMBL14943 0.61 MEN1 (1.00) S100A4MEN1KMT2ACDC25BMAPT
Anthraquinone SCHEMBL28961658 0.60 CDC25B (0.80) S100A4MEN1KMT2ACDC25BMAPT

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 S100A4 64/4885MEN1 4097/4885KMT2A 4755/4885

“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.