Sugi Predict

Sugi Predict / Compounds / SCHEMBL916162

SCHEMBL916162

SCHEMBL916162

COc1cc(OC)c(C=NNC(=N)NOC(C)=O)cc1Br

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.61
▸ ALDH1A1 P00352 5/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ MAPT P10636 10/20 0.56
▸ SAE1 Q9UBE0 1/20 0.56
▸ UBA2 Q9UBT2 1/20 0.56
▸ HPGD P15428 2/20 0.54
▸ GAA P10253 2/20 0.43
▸ LMNA P02545 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ TNFRSF1A P19438 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ PARP2 Q9UGN5 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL15365563 0.84 KDM4E (0.66) KDM4EALDH1A1SMN1; SMN2MAPTSAE1
SCHEMBL15365565 0.84 KDM4E (0.66) KDM4EALDH1A1SMN1; SMN2MAPTSAE1
Acetic Acid SCHEMBL916159 0.84 KDM4E (0.66) KDM4EALDH1A1SMN1; SMN2MAPTSAE1
Acetic Acid SCHEMBL916161 0.84 KDM4E (0.66) KDM4EALDH1A1SMN1; SMN2MAPTSAE1
SCHEMBL914838 0.82 MAPT (0.60) KDM4EALDH1A1SMN1; SMN2MAPTSAE1
SCHEMBL7748738 0.82 PARP1 (0.54) KDM4EALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL13673568 0.81 KDM4E (0.74) KDM4EALDH1A1SMN1; SMN2MAPTSAE1
SCHEMBL13673571 0.81 KDM4E (0.74) KDM4EALDH1A1SMN1; SMN2MAPTSAE1
Hydrochloric Acid SCHEMBL5702980 0.80 KDM4E (0.72) KDM4EALDH1A1SMN1; SMN2MAPTSAE1
Hydrochloric Acid SCHEMBL5702973 0.80 KDM4E (0.72) KDM4EALDH1A1SMN1; SMN2MAPTSAE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9227927-B2 Method of treating inflammation ANAMAR AB (SE) 2016-01-05 — — US claimed
US-20130295009-A1 METHOD OF TREATING INFLAMMATION HPF IP HOLDING S.A. (LU) 2013-11-07 — — US claimed
US-20070231267-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands ACURE PHARMA AB (SE) 2007-10-04 — — US claimed
US-20070088085-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MELACURE THERAPEUTICS AB (SE) 2007-04-19 — — US claimed
US-20040024060-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands ACURE PHARMA AB (SE) 2004-02-05 — — US 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 KDM4E 2870/4885ALDH1A1 1879/4885SMN1; SMN2 3287/4885
US-20040024060-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MC1R, MC5R, MCHR1 KDM4E 2898/4885ALDH1A1 1756/4885SMN1; SMN2 3263/4885
US-20070088085-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MC1R, MC5R, MCHR1 KDM4E 2870/4885ALDH1A1 1879/4885SMN1; SMN2 3287/4885
US-20110015437-A1 USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS MC1R, MC5R, MCHR1 KDM4E 2870/4885ALDH1A1 1879/4885SMN1; SMN2 3287/4885
US-20130295009-A1 METHOD OF TREATING INFLAMMATION MC2R, MC5R, MC1R KDM4E 3363/4885ALDH1A1 1930/4885SMN1; SMN2 3361/4885
US-20120178820-A1 METHOD FOR TREATING ARTHRITIS MC5R, MC1R, MC2R KDM4E 3527/4885ALDH1A1 2132/4885SMN1; SMN2 3068/4885

“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.