SCHEMBL4657279

SCHEMBL4657279

O=C1C=C(S)C(=O)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
MAPK1 P28482 6/20 0.58
CDC25B P30305 5/20 0.58
LMNA P02545 4/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
ALDH1A1 P00352 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
IDO1 P14902 3/20 0.58
MAOA P21397 3/20 0.58
BLM P54132 3/20 0.58
CDC25A P30304 3/20 0.58
HPGD P15428 3/20 0.58
PLIN1 O60240 2/20 0.58
PLIN5 Q00G26 2/20 0.58
ABHD5 Q8WTS1 2/20 0.58
MAOB P27338 2/20 0.58
SNCA P37840 2/20 0.58
CYP3A4 P08684 2/20 0.58
GAA P10253 2/20 0.58

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
SCHEMBL6052798 0.80 PTPN1 (0.58) MAPTMAPK1CDC25BLMNAMEN1
SCHEMBL6555840 0.77 BACE1 (0.75) MAPTMAPK1CDC25BLMNAMEN1
Menadione SCHEMBL1364028 0.73 MAPT (1.00) MAPTMAPK1CDC25BLMNAMEN1
Menadione SCHEMBL19356853 0.73 MAPT (1.00) MAPTMAPK1CDC25BLMNAMEN1
Menadione SCHEMBL25970 0.73 MAPT (1.00) MAPTMAPK1CDC25BLMNAMEN1
SCHEMBL25358615 0.73 MAPT (0.56) MAPTMAPK1CDC25BLMNAMEN1
SCHEMBL14763777 0.73 MAPT (0.56) MAPTMAPK1CDC25BLMNAMEN1
SCHEMBL125298 0.73 CDC25B (0.56) MAPTMAPK1CDC25BLMNAMEN1
Lawsone SCHEMBL6849999 0.73 MAPT (0.68) MAPTMAPK1CDC25BLMNAMEN1
Lawsone SCHEMBL16541 0.73 MAPT (0.68) MAPTMAPK1CDC25BLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105646300-A Method for preparing 2-octyl sulfoxide-1,4-naphthoquinone 黑龙江八农垦大学 2016-06-08 CN disclosed
EP-1567515-A4 NOVEL LAPACHONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE INC (US) 2008-04-23 EP disclosed
EP-1567515-A2 NOVEL LAPACHONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2005-08-31 EP disclosed
US-20040266857-A1 Novel lapachone compounds and methods of use thereof HINES GLOBAL EDUCATION 2004-12-30 US disclosed
WO-2004045557-A2 NOVEL LAPACHONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2004-06-03 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-20040266857-A1 Novel lapachone compounds and methods of use thereof XIAP, MKI67, PIN1 MAPT 3021/4885MAPK1 1088/4885CDC25B 143/4885

“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.