SCHEMBL3100598

SCHEMBL3100598

NC(N)=NC(=O)c1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.55
NR4A2 P43354 1/20 0.55
NR4A3 Q92570 1/20 0.55
SLC9A1 P19634 3/20 0.50
MMP3 P08254 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
SLC9A2 Q9UBY0 1/20 0.50
HTR2B P41595 2/20 0.49
HTR7 P34969 1/20 0.49
PTPN1 P18031 1/20 0.49
CDC25B P30305 1/20 0.49
PLK1 P53350 1/20 0.49
KDM4E B2RXH2 6/20 0.47
HPGD P15428 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL14673961 0.82 MMP3 (0.47) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL732404 0.81 NR4A1 (0.59) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL5427464 0.80 SCN2A (0.56) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL27709602 0.80 SLC9A1 (0.49) SLC9A1SLC9A2HTR2BHTR7HPGD
SCHEMBL27709722 0.79 PLK1 (0.47) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL15385197 0.79 NR4A1 (0.61) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL43084 0.78 KDM4E (0.68) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL29381201 0.78 KDM4E (0.68) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL29563425 0.77 NR4A1 (0.59) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL30719419 0.77 NR4A1 (0.59) NR4A1NR4A2NR4A3MMP3HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2617709-B1 Guanidine derivatives as antiviral agents BIOTRON LTD (AU) 2022-11-16 EP claimed
US-10472332-B2 Antiviral compounds and methods BIOTRON LIMITED (AU) 2019-11-12 US claimed
US-20170260147-A1 ANTIVIRAL COMPOUNDS AND METHODS BIOTRON LIMITED (AU) 2017-09-14 US claimed
US-20150313909-A1 ANTIVIRAL COMPOUNDS AND METHODS BIOTRON LIMITED (AU) 2015-11-05 US claimed
US-20130035328-A1 ANTIVIRAL COMPOUNDS AND METHODS GAGE PETER WILLIAM (AU) 2013-02-07 US claimed
CN-101111475-B Antiviral compounds and methods BIOTRON LTD 2012-09-05 CN claimed
EP-0937464-B1 Combined pharmaceutical preparation containing inhibitors of the sodium hydrogen exchange and a medicament for the treatment of cardiovascular diseases SANOFI AVENTIS DEUTSCHLAND (DE) 2012-07-11 EP claimed
CN-101111475-A Antiviral compounds and methods BIOTRON LTD (AU) 2008-01-23 CN claimed
US-20040097544-A1 Use of an inhibitor of the Na+/H+ exchanger for the production of a medicament for the treatment or prophylaxis of disturbances of the central nervous system HOECHST MARION ROUSSEL DEUTSCHLAND GMBH 2004-05-20 US claimed
CN-1367689-A Use of sodium-hydrogen exchanger inhibitors for producing medicaments for preventing organ dysfunction and diseases caused by aging and for prolonging life AVENTIS PHARMA GMBH (DE) 2002-09-04 CN claimed
US-6420430-B1 USE OF BENZOYLGUANIDINE DERIVATIVES TO PREVENT AGING DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-07-16 US claimed
EP-1140056-A2 THE UTILISATION OF INHIBITORS OF THE SODIUM HYDROGEN EXCHANGER FOR PRODUCING A MEDICAMENT FOR PREVENTING ORGAN DYSFUNCTIONS AND DISEASES RELATED TO A PARTICULAR AGE AND FOR PROLONGING LIFE Aventis Pharma Deutschland GmbH (DE) 2001-10-10 EP claimed
EP-0810206-B1 Substituted 2-naphthoylguanidines, process for their preparation, their use as medicament or diagnostic agent and medicament containing them HOECHST AG (DE) 2000-12-27 EP claimed
WO-2000038661-A2 THE UTILISATION OF INHIBITORS OF THE SODIUM HYDROGEN EXCHANGER FOR PRODUCING A MEDICAMENT FOR PREVENTING ORGAN DYSFUNCTIONS AND DISEASES RELATED TO A PARTICULAR AGE AND FOR PROLONGING LIFE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-07-06 WO claimed
EP-0937464-A2 Combined pharmaceutical preparation containing inhibitors of the sodium hydrogen exchange and a medicament for the treatment of cardiovascular diseases Hoechst Marion Roussel Deutschland GmbH (DE) 1999-08-25 EP claimed
EP-0916337-A2 Use of inhibitors of the sodium-hydrogen exchange in the manufacture of amedicament for reducing unwanted effects of compounds on the heart. Hoechst Marion Roussel Deutschland GmbH (DE) 1999-05-19 EP claimed
EP-0909559-A2 Use of inhibitors of the sodium hydrogen exchange in the manufacture of a medicament for treatment or prophylaxis of diseases of the central nervous system Hoechst Marion Roussel Deutschland GmbH (DE) 1999-04-21 EP claimed
EP-0901788-A2 Use of inhibitors of the sodium hydrogen exchange in the manufacture of a medicament Hoechst Marion Roussel Deutschland GmbH (DE) 1999-03-17 EP claimed
CN-1209995-A Use of sodium-hydrogen exchanger inhibitors for the production of a medicament for reducing the adverse effects of substances on the heart HOECHST MARION ROUSSEL DE GMBH (DE) 1999-03-10 CN claimed
EP-0810206-A1 Substituted 2-naphtoylguanidines, process for their preparation, their use as medicament or diagnostic agent and medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-03 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 (5 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-20040097544-A1 Use of an inhibitor of the Na+/H+ exchanger for the production of a medicament for the treatment or prophylaxis of disturbances of the central nervous system SLC9A2, SLC6A2, SLC9A1 NR4A1 3455/4885NR4A2 1823/4885NR4A3 2816/4885
US-10472332-B2 Antiviral compounds and methods MAVS, ZC3HAV1, EIF2AK2 NR4A1 3575/4885NR4A2 3770/4885NR4A3 2871/4885
US-20170260147-A1 ANTIVIRAL COMPOUNDS AND METHODS MAVS, ZC3HAV1, EIF2AK2 NR4A1 3575/4885NR4A2 3770/4885NR4A3 2871/4885
US-20130035328-A1 ANTIVIRAL COMPOUNDS AND METHODS ZC3HAV1, MAVS, EIF2AK2 NR4A1 3448/4885NR4A2 3730/4885NR4A3 2958/4885
US-20150313909-A1 ANTIVIRAL COMPOUNDS AND METHODS ZC3HAV1, MAVS, EIF2AK2 NR4A1 3448/4885NR4A2 3730/4885NR4A3 2958/4885

“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.