SCHEMBL915761

SCHEMBL915761

COc1ccc(C=NNC(=N)N)c(OC(C)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 2/20 0.53
ALOX12 P18054 1/20 0.53
NCOA1 Q15788 1/20 0.53
NCOA3 Q9Y6Q9 1/20 0.53
KMT2A Q03164 5/20 0.52
KDM4E B2RXH2 5/20 0.52
MEN1 O00255 4/20 0.52
POLB P06746 1/20 0.49
PKM P14618 1/20 0.48
ALDH1A1 P00352 5/20 0.47
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 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
SCHEMBL17044411 0.87 GRIN2D (0.59) MAPTSMN1; SMN2LMNAKMT2AKDM4E
SCHEMBL17044409 0.87 GRIN2D (0.59) MAPTSMN1; SMN2LMNAKMT2AKDM4E
Hydrochloric Acid SCHEMBL5703025 0.86 KDM4E (0.60) MAPTSMN1; SMN2LMNAKMT2AKDM4E
Hydrochloric Acid SCHEMBL5703030 0.86 KDM4E (0.60) MAPTSMN1; SMN2LMNAKMT2AKDM4E
SCHEMBL915569 0.81 MAPT (0.43) MAPTSMN1; SMN2LMNAALOX12NCOA1
Acetic Acid SCHEMBL915760 0.81 ADORA2A (0.55) MAPTSMN1; SMN2LMNAKMT2AKDM4E
Acetic Acid SCHEMBL915759 0.81 ADORA2A (0.55) MAPTSMN1; SMN2LMNAKMT2AKDM4E
SCHEMBL9056280 0.81 KDM4E (0.54) MAPTSMN1; SMN2LMNAALOX12NCOA1
SCHEMBL5474426 0.81 KMT2A (0.52) MAPTSMN1; SMN2LMNAALOX12NCOA1
SCHEMBL14520079 0.81 KMT2A (0.52) MAPTSMN1; SMN2LMNAALOX12NCOA1

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
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
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 4502/4885SMN1; SMN2 3287/4885LMNA 4609/4885
US-20040024060-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MC1R, MC5R, MCHR1 MAPT 4496/4885SMN1; SMN2 3263/4885LMNA 4614/4885
US-20070088085-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MC1R, MC5R, MCHR1 MAPT 4502/4885SMN1; SMN2 3287/4885LMNA 4609/4885
US-20110015437-A1 USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS MC1R, MC5R, MCHR1 MAPT 4502/4885SMN1; SMN2 3287/4885LMNA 4609/4885
US-20130295009-A1 METHOD OF TREATING INFLAMMATION MC2R, MC5R, MC1R MAPT 3465/4885SMN1; SMN2 3361/4885LMNA 3918/4885
US-20120178820-A1 METHOD FOR TREATING ARTHRITIS MC5R, MC1R, MC2R MAPT 3995/4885SMN1; SMN2 3068/4885LMNA 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.