Sugi Predict

Sugi Predict / Compounds / SCHEMBL915592

SCHEMBL915592

SCHEMBL915592

CC(=O)ONC(=N)NN=Cc1cc(Cl)cc([N+](=O)[O-])c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.46
▸ KDM4E B2RXH2 7/20 0.46
▸ LMNA P02545 6/20 0.46
▸ ALDH1A1 P00352 6/20 0.46
▸ POLB P06746 4/20 0.46
▸ TDP1 Q9NUW8 5/20 0.43
▸ MEN1 O00255 10/20 0.42
▸ KMT2A Q03164 10/20 0.42
▸ HTT P42858 8/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ BLM P54132 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ PSMD14 O00487 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ APAF1 O14727 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SAE1 Q9UBE0 1/20 0.38
▸ UBA2 Q9UBT2 1/20 0.38
▸ GAA P10253 1/20 0.38

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
Acetic Acid SCHEMBL915590 0.85 MAPT (0.47) MAPTKDM4ELMNAALDH1A1POLB
Acetic Acid SCHEMBL915591 0.85 MAPT (0.47) MAPTKDM4ELMNAALDH1A1POLB
SCHEMBL7748672 0.83 MAPT (0.49) MAPTKDM4ELMNAALDH1A1POLB
SCHEMBL7748675 0.83 MAPT (0.49) MAPTKDM4ELMNAALDH1A1POLB
SCHEMBL915613 0.83 MAPT (0.40) MAPTKDM4ELMNAALDH1A1POLB
SCHEMBL914336 0.79 MAPT (0.40) MAPTKDM4ELMNAALDH1A1POLB
SCHEMBL917384 0.78 ALDH1A1 (0.49) MAPTKDM4ELMNAALDH1A1POLB
SCHEMBL914890 0.77 MAPT (0.49) MAPTKDM4ELMNAALDH1A1TDP1
SCHEMBL915692 0.77 HTT (0.62) MAPTKDM4ELMNAALDH1A1TDP1
SCHEMBL916659 0.76 ALDH1A1 (0.40) MAPTKDM4ELMNAALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130295009-A1 METHOD OF TREATING INFLAMMATION HPF IP HOLDING S.A. (LU) 2013-11-07 — — US claimed
EP-1313461-A2 THE USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS Melacure Therapeutics AB (SE) 2003-05-28 — — EP claimed
WO-2002011715-A2 THE USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS MELACURE THERAPEUTICS AB (SE) 2002-02-14 — — WO claimed
US-9227927-B2 Method of treating inflammation ANAMAR AB (SE) 2016-01-05 — — US disclosed
US-20130295009-A1 METHOD OF TREATING INFLAMMATION HPF IP HOLDING S.A. (LU) 2013-11-07 — — US disclosed
US-8410174-B2 Method for treating arthritis ANAMAR AB (SE) 2013-04-02 — — US disclosed
US-20120178820-A1 METHOD FOR TREATING ARTHRITIS ANAMAR AB (SE) 2012-07-12 — — US disclosed
US-8148429-B2 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands ANAMAR AB (SE) 2012-04-03 — — US disclosed
US-20110015437-A1 USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS ACURE PHARMA AB (SE) 2011-01-20 — — US disclosed
US-20070231267-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands ACURE PHARMA AB (SE) 2007-10-04 — — US disclosed
US-20070088085-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MELACURE THERAPEUTICS AB (SE) 2007-04-19 — — US disclosed
US-20040024060-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands ACURE PHARMA AB (SE) 2004-02-05 — — US disclosed
EP-1313461-A2 THE USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS Melacure Therapeutics AB (SE) 2003-05-28 — — EP disclosed
WO-2002011715-A2 THE USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS MELACURE THERAPEUTICS AB (SE) 2002-02-14 — — WO disclosed
WO-2001025192-A1 GUANIDINE DERIVATIVES AND THEIR USE IN THE PRODUCTION OF A MEDICAMENT FOR BLOCKING XANTHINE OXIDASE/DEHYDROGENASE MELACURE THERAPEUTICS AB (SE) 2001-04-12 — — 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 (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-20070231267-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MC1R, MC5R, MCHR1 MAPT 4502/4885KDM4E 2870/4885LMNA 4609/4885
US-20040024060-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MC1R, MC5R, MCHR1 MAPT 4496/4885KDM4E 2898/4885LMNA 4614/4885
US-20070088085-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MC1R, MC5R, MCHR1 MAPT 4502/4885KDM4E 2870/4885LMNA 4609/4885
US-20110015437-A1 USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS MC1R, MC5R, MCHR1 MAPT 4502/4885KDM4E 2870/4885LMNA 4609/4885
US-20130295009-A1 METHOD OF TREATING INFLAMMATION MC2R, MC5R, MC1R MAPT 3465/4885KDM4E 3363/4885LMNA 3918/4885
US-20120178820-A1 METHOD FOR TREATING ARTHRITIS MC5R, MC1R, MC2R MAPT 3995/4885KDM4E 3527/4885LMNA 4542/4885

“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.