SCHEMBL916665

SCHEMBL916665

COc1ccc(/C=N/NC(=N)NO)cc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
GRIN2D O15399 2/20 0.57
GRIN3B O60391 2/20 0.57
GRIN1 Q05586 2/20 0.57
GRIN2A Q12879 2/20 0.57
GRIN2B Q13224 2/20 0.57
GRIN2C Q14957 2/20 0.57
GRIN3A Q8TCU5 2/20 0.57
MAPT P10636 10/20 0.57
HTT P42858 2/20 0.57
LMNA P02545 3/20 0.55
GAA P10253 5/20 0.54
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MAPK1 P28482 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54

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
SCHEMBL916667 1.00 ALDH1A1 (0.63) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13673551 0.87 GRIN2D (0.65) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13673552 0.87 GRIN2D (0.65) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL915608 0.86 ALDH1A1 (0.61) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
Acetic Acid SCHEMBL915607 0.83 ALDH1A1 (0.62) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
Acetic Acid SCHEMBL915606 0.83 ALDH1A1 (0.62) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13673555 0.83 MAPT (0.53) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL13673556 0.83 MAPT (0.53) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL13673505 0.81 MAPT (0.48) ALDH1A1MAPTHTTLMNAGAA
SCHEMBL13673651 0.81 MAPT (0.63) ALDH1A1MAPTHTTLMNAGAA

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 13 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
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-8309609-B2 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands ANAMAR AB (SE) 2012-11-13 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

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 ALDH1A1 1879/4885GRIN2D 1114/4885GRIN3B 699/4885
US-20040024060-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MC1R, MC5R, MCHR1 ALDH1A1 1756/4885GRIN2D 1140/4885GRIN3B 698/4885
US-20070088085-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MC1R, MC5R, MCHR1 ALDH1A1 1879/4885GRIN2D 1114/4885GRIN3B 699/4885
US-20110015437-A1 USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS MC1R, MC5R, MCHR1 ALDH1A1 1879/4885GRIN2D 1114/4885GRIN3B 699/4885
US-20130295009-A1 METHOD OF TREATING INFLAMMATION MC2R, MC5R, MC1R ALDH1A1 1930/4885GRIN2D 1672/4885GRIN3B 771/4885
US-20120178820-A1 METHOD FOR TREATING ARTHRITIS MC5R, MC1R, MC2R ALDH1A1 2132/4885GRIN2D 2438/4885GRIN3B 1087/4885

“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.