SCHEMBL627474

SCHEMBL627474

NCCCCCCCCCCCCNC(N)=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 3/20 0.64
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
GNAI3 P08754 1/20 0.46
GNAO1 P09471 1/20 0.46
GNAI1 P63096 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
SLC6A5 Q9Y345 2/20 0.43
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 2/20 0.42
MEN1 O00255 1/20 0.42
PLG P00747 1/20 0.42
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
SLC6A2 P23975 1/20 0.42
RECQL P46063 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL6276798 1.00 PAOX (0.64) PAOXMAOAMAOBGNAI3GNAO1
SCHEMBL627424 1.00 PAOX (0.64) PAOXMAOAMAOBGNAI3GNAO1
SCHEMBL22197867 1.00 PAOX (0.64) PAOXMAOAMAOBGNAI3GNAO1
SCHEMBL1078114 1.00 PAOX (0.64) PAOXMAOAMAOBGNAI3GNAO1
SCHEMBL6278204 1.00 PAOX (0.64) PAOXMAOAMAOBGNAI3GNAO1
SCHEMBL6272996 1.00 PAOX (0.64) PAOXMAOAMAOBGNAI3GNAO1
SCHEMBL1332569 0.97
SCHEMBL3406422 0.90
SCHEMBL1309360 0.89 KDM4E (0.52) PAOXKDM4EMAPK1HIF1AALDH1A1
SCHEMBL1837168 0.89 KDM4E (0.52) PAOXKDM4EMAPK1HIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120277145-A1 Compounds WADMAN SJOERD NICOLAAS (US) 2012-11-01 US claimed
US-9192569-B2 Formulations for infusion of type B lantibiotics NOVACTA BIOSYSTEMS LIMITED (GB) 2015-11-24 US disclosed
US-9006392-B2 Actagardine derivatives, and pharmaceutical use thereof NOVACTA BIOSYSTEMS LIMITED (GB) 2015-04-14 US disclosed
EP-2387580-B1 DEOXYACTAGARDINE DERIVATIVES NOVACTA BIOSYSTEMS LTD (GB) 2014-08-13 EP disclosed
US-8741945-B2 Compounds NOVACTA BIOSYSTEMS LIMITED (GB) 2014-06-03 US disclosed
WO-2014016613-A2 THE USE OF TYPE-B LANTIBIOTIC-BASED COMPOUNDS HAVING ANTIMICROBIAL ACTIVITY NOVACTA BIOSYSTEMS LIMITED (GB/GB) (GB) 2014-01-30 WO disclosed
EP-2603204-A2 FORMULATIONS FOR INFUSION OF TYPE B LANTIBIOTICS Novacta Biosystems Limited (GB) 2013-06-19 EP disclosed
US-20130137630-A1 FORMULATIONS FOR INFUSION OF TYPE B LANTIBIOTICS NOVACTA BIOSYSTEMS LIMITED (GB) 2013-05-30 US disclosed
EP-2531205-A1 ACTAGARDINE DERIVATIVES, AND PHARMACEUTICAL USE THEREOF Novacta Biosystems Limited (GB) 2012-12-12 EP disclosed
US-20120302728-A1 Actagardine Derivatives, and Pharmaceutical Use Thereof NOVACTA BIOSYSTEMS LIMITED (GB) 2012-11-29 US disclosed
US-8283371-B2 Compounds NOVACTA BIOSYSTEMS LIMITED (GB) 2012-10-09 US disclosed
US-8183278-B2 2012-05-22 US disclosed
WO-2012020219-A2 FORMULATIONS FOR INFUSION OF TYPE B LANTIBIOTICS NOVACTA BIOSYSTEMS LIMITED (GB) 2012-02-16 WO disclosed
WO-2011095769-A1 ACTAGARDINE DERIVATIVES, AND PHARMACEUTICAL USE THEREOF NOVACTA BIOSYSTEMS LIMITED (GB) 2011-08-11 WO disclosed
US-20100261890-A1 METHOD FOR THE CHEMICAL SYNTHESIS OF OLIGONUCLEOTIDES VARGEESE CHANDRA 2010-10-14 US disclosed
US-7777023-B2 Method for the chemical synthesis of oligonucleotides SIRNA THERAPEUTICS, INC. (US) 2010-08-17 US disclosed
US-20100179207-A1 COMPOUNDS NOVACTA BIOSYSTEMS LIMITED (GB) 2010-07-15 US disclosed
US-7205399-B1 Methods and reagents for oligonucleotide synthesis SIRNA THERAPEUTICS, INC. (US) 2007-04-17 US disclosed
US-20060036090-A1 Method for the chemical synthesis of oligonucleotides SIRNA THERAPEUTICS, INC. (US) 2006-02-16 US disclosed
US-6995259-B1 Method for the chemical synthesis of oligonucleotides SIRNA THERAPEUTICS, INC. (US) 2006-02-07 US 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 (6 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-20060036090-A1 Method for the chemical synthesis of oligonucleotides RNGTT, NSUN3, NSUN2 PAOX 1520/4885MAOA 3886/4885MAOB 3755/4885
US-20100179207-A1 COMPOUNDS VIP, DCTD, PYGB PAOX 2472/4885MAOA 277/4885MAOB 202/4885
US-20100261890-A1 METHOD FOR THE CHEMICAL SYNTHESIS OF OLIGONUCLEOTIDES RNGTT, NSUN3, NSUN2 PAOX 1520/4885MAOA 3886/4885MAOB 3755/4885
US-20130137630-A1 FORMULATIONS FOR INFUSION OF TYPE B LANTIBIOTICS SLC5A2, SLC5A11, SPTSSB PAOX 3110/4885MAOA 4646/4885MAOB 1528/4885
US-20120302728-A1 Actagardine Derivatives, and Pharmaceutical Use Thereof GALR2, GALR1, GALR3 PAOX 4708/4885MAOA 1215/4885MAOB 323/4885
US-20120277145-A1 Compounds VIP, DCTD, SI PAOX 2424/4885MAOA 288/4885MAOB 204/4885

“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.