SCHEMBL319047

SCHEMBL319047

O=[C]ON1C(=O)c2ccccc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
ALDH1A1 P00352 7/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 5/20 0.46
KDM4E B2RXH2 4/20 0.46
HPGD P15428 3/20 0.46
CYP1A2 P05177 4/20 0.42
MEN1 O00255 3/20 0.42
VDR P11473 1/20 0.42
CYP2C9 P11712 1/20 0.42
HTT P42858 3/20 0.40
F2 P00734 2/20 0.40
XBP1 P17861 2/20 0.40
POLB P06746 1/20 0.40
CASP3 P42574 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL262472 0.75 GAA (0.56) GAAALDH1A1KMT2AMAPTKDM4E
SCHEMBL20768726 0.75 GAA (0.56) GAAALDH1A1KMT2AMAPTKDM4E
SCHEMBL3359433 0.73 GAA (0.54) GAAALDH1A1KMT2AMAPTKDM4E
SCHEMBL3863655 0.71 GAA (0.52) GAAALDH1A1KMT2AMAPTKDM4E
SCHEMBL798345 0.71 GAA (0.52) GAAALDH1A1KMT2AMAPTKDM4E
SCHEMBL19341881 0.71 GAA (0.52) GAAALDH1A1KMT2AMAPTKDM4E
SCHEMBL12963641 0.71 GAA (0.52) GAAALDH1A1KMT2AMAPTKDM4E
SCHEMBL14159314 0.71 GAA (0.52) GAAALDH1A1KMT2AMAPTKDM4E
SCHEMBL13286163 0.71 GAA (0.52) GAAALDH1A1KMT2AMAPTKDM4E
SCHEMBL17516239 0.71 GAA (0.52) GAAALDH1A1KMT2AMAPTKDM4E

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 96 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1700922-B1 3-Substituted 5-Nitroindole derivatives and labeled oligonucleotide probes containing them ROCHE DIAGNOSTICS GMBH (DE) 2016-08-24 EP claimed
EP-1594855-B1 SIGNALLING COMPOUNDS FOR USE IN METHODS OF DETECTING HYDROGEN PEROXIDE LUMIGEN INC (US) 2014-01-22 EP claimed
EP-2305690-B1 Signalling compounds for use in methods of detecting hydrogen peroxide LUMIGEN INC (US) 2012-08-29 EP claimed
EP-2305690-A1 Signalling compounds for use in methods of detecting hydrogen peroxide LUMIGEN, INC. (US) 2011-04-06 EP claimed
US-7695980-B2 Chemiluminescent compounds and their use ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2010-04-13 US claimed
US-7691367-B2 Branched polyalkylene glycols KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-04-06 US claimed
EP-1646609-B1 NOVEL CHEMILUMINESCENT COMPOUNDS AND THEIR USE ROCHE DIAGNOSTICS GMBH (DE) 2009-10-14 EP claimed
US-7563902-B2 Chemiluminescent compounds and their use ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2009-07-21 US claimed
US-7547765-B2 Branched polyalkylene glycols KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-06-16 US claimed
US-20080125350-A1 BRANCHED POLYALKYLENE GLYCOLS KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-05-29 US claimed
US-20040166539-A1 Signalling compounds and methods for detecting hydrogen peroxide LUMIGEN, INC. 2004-08-26 US claimed
EP-1400550-A1 BRANCHED POLYALKYLENE GLYCOLS Kyowa Hakko Kogyo Co., Ltd (JP) 2004-03-24 EP claimed
US-20030219404-A1 Branched polyalkylene glycols KYOWA HAKKO KIRIN CO., LTD. (JP) 2003-11-27 US claimed
EP-0609885-B1 Acridinium compounds and conjugates thereof MOCHIDA PHARM CO LTD (JP) 2003-04-16 EP claimed
EP-1270642-A1 BRANCHED POLYALKYLENE GLYCOLS KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-01-02 EP claimed
US-6087502-A COMPOUNDS FOR MARKING ANTIGENS OR ANTIBODIES RECEPTOR BINDING ASSAY MOCHIDA PHARMACEUTICALS CO., LTD. (JP) 2000-07-11 US claimed
EP-0761652-A1 Acridinium compound having a plurality of luminescent groups and binding groups, and conjugate thereof MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1997-03-12 EP claimed
US-5594112-A CHEMILUMINESCENCE LABEL MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1997-01-14 US claimed
US-5438139-A Chemiluminescent; useful as immunolochemical, DNA probe and receptor bininding assays MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1995-08-01 US claimed
EP-0609885-A1 Acridinium compounds and conjugates thereof MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1994-08-10 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20080125350-A1 BRANCHED POLYALKYLENE GLYCOLS LNPEP, ANPEP, ENPEP GAA 628/4885ALDH1A1 2967/4885KMT2A 4612/4885
US-20030219404-A1 Branched polyalkylene glycols LNPEP, ANPEP, BCAT1 GAA 561/4885ALDH1A1 2572/4885KMT2A 4365/4885

“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.