SCHEMBL415465

SCHEMBL415465

O=C1C=[C]c2ccccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
CDC25B P30305 4/20 0.42
PTPN1 P18031 8/20 0.40
PTPRC P08575 4/20 0.40
MAPT P10636 4/20 0.40
MAOA P21397 4/20 0.40
IDO1 P14902 4/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 3/20 0.40
MAPK1 P28482 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
BCHE P06276 2/20 0.40
POLB P06746 2/20 0.40
THRB P10828 2/20 0.40
CES1 P23141 2/20 0.40
RECQL P46063 2/20 0.40
PTPN22 Q9Y2R2 2/20 0.40
APAF1 O14727 2/20 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
SCHEMBL216271 0.86 MAOA (0.42) MEN1KMT2ACDC25BPTPN1PTPRC
SCHEMBL8366579 0.74 CDC25B (0.32) MEN1KMT2ACDC25BMAOAIDO1
SCHEMBL577831 0.70 CDC25B (0.58) MEN1KMT2ACDC25BPTPRCMAPT
SCHEMBL223194 0.67 IDO1 (0.48) MEN1KMT2ACDC25BPTPN1PTPRC
SCHEMBL6052798 0.62 PTPN1 (0.58) MEN1KMT2ACDC25BPTPN1PTPRC
Anthraquinone SCHEMBL29358690 0.61 MEN1 (1.00) MEN1KMT2ACDC25BPTPRCMAPT
Anthraquinone SCHEMBL14943 0.61 MEN1 (1.00) MEN1KMT2ACDC25BPTPRCMAPT
Anthraquinone SCHEMBL1901249 0.61 MEN1 (1.00) MEN1KMT2ACDC25BPTPRCMAPT
Anthraquinone SCHEMBL10905960 0.59 MEN1 (0.92) MEN1KMT2ACDC25BPTPRCMAPT
Anthraquinone SCHEMBL20299926 0.59 MEN1 (0.92) MEN1KMT2ACDC25BPTPRCMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039503-B2 Lapachone compounds and methods of use thereof ARQULE, INC. (US) 2011-10-18 US claimed
US-20110105470-A1 Novel Lapachone Compounds And Methods of Use Thereof ARQULE, INC. (US) 2011-05-05 US claimed
US-7902354-B2 Lapachone compounds and methods of use thereof ARQULE, INC. (US) 2011-03-08 US claimed
US-20090105166-A1 Novel lapachone compounds and methods of use thereof ARQULE, INC. 2009-04-23 US claimed
EP-2035435-A1 NOVEL LAPACHONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2009-03-18 EP claimed
WO-2007139569-A1 NOVEL LAPACHONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2007-12-06 WO claimed
US-20120021432-A1 Phosphorylated NF45 Biomarkers, Antibodies And Methods Of Using Same ARQULE, INC. (US) 2012-01-26 US disclosed
WO-2011130644-A2 PHOSPHORYLATED NF45 BIOMARKERS, ANTIBODIES AND METHODS OF USING SAME ARQULE, INC. (US) 2011-10-20 WO disclosed
US-8039503-B2 Lapachone compounds and methods of use thereof ARQULE, INC. (US) 2011-10-18 US disclosed
US-20110105470-A1 Novel Lapachone Compounds And Methods of Use Thereof ARQULE, INC. (US) 2011-05-05 US disclosed
US-7902354-B2 Lapachone compounds and methods of use thereof ARQULE, INC. (US) 2011-03-08 US disclosed
US-20090105166-A1 Novel lapachone compounds and methods of use thereof ARQULE, INC. 2009-04-23 US disclosed
EP-2035435-A1 NOVEL LAPACHONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2009-03-18 EP disclosed
WO-2007139569-A1 NOVEL LAPACHONE COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2007-12-06 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 (3 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-20110105470-A1 Novel Lapachone Compounds And Methods of Use Thereof BAD, NQO1, CASP3 MEN1 1674/4885KMT2A 3413/4885CDC25B 33/4885
US-20120021432-A1 Phosphorylated NF45 Biomarkers, Antibodies And Methods Of Using Same NFKB1, NFKBIA, CDC45 MEN1 2791/4885KMT2A 2912/4885CDC25B 2679/4885
US-20090105166-A1 Novel lapachone compounds and methods of use thereof BAD, NQO1, CASP3 MEN1 1674/4885KMT2A 3413/4885CDC25B 33/4885

“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.