SCHEMBL3100592

SCHEMBL3100592

N=C(N)NC(=O)c1cccc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
PLK1 P53350 1/20 0.61
NR4A1 P22736 1/20 0.53
NR4A2 P43354 1/20 0.53
NR4A3 Q92570 1/20 0.53
DEGS1 O15121 1/20 0.53
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 3/20 0.52
SCN5A Q14524 1/20 0.52
SCN2A Q99250 1/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
HPGD P15428 2/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL30071626 1.00 MMP3 (0.62) MMP3HDAC8PLK1NR4A1NR4A2
Guanidine SCHEMBL27689978 0.98 MMP3 (0.61) MMP3HDAC8PLK1NR4A1NR4A2
Hydrochloric Acid SCHEMBL7110749 0.98 MMP3 (0.61) MMP3HDAC8PLK1NR4A1NR4A2
SCHEMBL1794660 0.87 MMP3 (0.65) MMP3HDAC8PLK1NR4A1NR4A2
Heptane SCHEMBL27371329 0.87 PLK1 (0.51) MMP3HDAC8PLK1SCN5ASCN2A
SCHEMBL1605906 0.87 HDAC8 (0.74) MMP3HDAC8PLK1NR4A1NR4A2
SCHEMBL27689914 0.86 SCN5A (0.54) MMP3HDAC8PLK1NR4A1NR4A2
SCHEMBL5427460 0.85 MMP3 (0.67) MMP3HDAC8PLK1NR4A1NR4A2
SCHEMBL3070336 0.85 ALDH1A1 (0.42) MMP3HDAC8PLK1ALDH1A1KDM4E
SCHEMBL15121479 0.84 PLAU (0.52) MMP3HDAC8PLK1ALDH1A1KDM4E

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 91 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
EP-2617709-A1 Guanidine derivatives as antiviral agents Biotron Limited (AU) 2013-07-24 EP 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-20070099968-A1 Antiviral compounds and methods BIOTRON LIMITED (AU) 2007-05-03 US 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-0810205-B1 Substituted 1-naphtoylguanidines, process for their preparation, their use as medicament or diagnostic agent and medicaments containing them HOECHST AG (DE) 2001-03-28 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-0810205-A1 Substituted 1-naphtoylguanidines, process for their preparation, their use as medicament or diagnostic agent and medicaments 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-10472332-B2 Antiviral compounds and methods MAVS, ZC3HAV1, EIF2AK2 MMP3 787/4885HDAC8 278/4885PLK1 542/4885
US-20070099968-A1 Antiviral compounds and methods MAVS, ZC3HAV1, EIF2AK2 MMP3 711/4885HDAC8 284/4885PLK1 594/4885
US-20170260147-A1 ANTIVIRAL COMPOUNDS AND METHODS MAVS, ZC3HAV1, EIF2AK2 MMP3 787/4885HDAC8 278/4885PLK1 542/4885
US-20130035328-A1 ANTIVIRAL COMPOUNDS AND METHODS ZC3HAV1, MAVS, EIF2AK2 MMP3 644/4885HDAC8 222/4885PLK1 511/4885
US-20150313909-A1 ANTIVIRAL COMPOUNDS AND METHODS ZC3HAV1, MAVS, EIF2AK2 MMP3 644/4885HDAC8 222/4885PLK1 511/4885

“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.