SCHEMBL915133

SCHEMBL915133

COc1cc([N+](=O)[O-])cc(C=NNC(=N)NOC(C)=O)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.49
KDM4E B2RXH2 11/20 0.49
KMT2A Q03164 9/20 0.49
MEN1 O00255 8/20 0.49
ALDH1A1 P00352 5/20 0.49
POLB P06746 3/20 0.49
RECQL P46063 1/20 0.49
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49
HTT P42858 6/20 0.46
L3MBTL1 Q9Y468 5/20 0.46
TDP1 Q9NUW8 5/20 0.46
GAA P10253 3/20 0.46
PSMD14 O00487 1/20 0.46
MMP2 P08253 1/20 0.46
LMNA P02545 6/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
MITF O75030 1/20 0.45
PKM P14618 1/20 0.44

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
SCHEMBL5570016 0.87 MAPT (0.50) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL5570018 0.87 MAPT (0.50) MAPTKDM4EKMT2AMEN1ALDH1A1
Acetic Acid SCHEMBL915130 0.86 KMT2A (0.52) MAPTKDM4EKMT2AMEN1ALDH1A1
Acetic Acid SCHEMBL915131 0.86 KMT2A (0.52) MAPTKDM4EKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL915504 0.86 MAPT (0.49) MAPTKDM4EKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL915505 0.86 MAPT (0.49) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL13673502 0.85 MAPT (0.51) MAPTKDM4EKMT2AMEN1ALDH1A1
SCHEMBL13673501 0.85 MAPT (0.51) MAPTKDM4EKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL917360 0.84 MAPT (0.50) MAPTKDM4EKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL917359 0.84 MAPT (0.50) MAPTKDM4EKMT2AMEN1ALDH1A1

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-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
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 2870/4885KMT2A 2143/4885
US-20040024060-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MC1R, MC5R, MCHR1 MAPT 4496/4885KDM4E 2898/4885KMT2A 2134/4885
US-20070088085-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MC1R, MC5R, MCHR1 MAPT 4502/4885KDM4E 2870/4885KMT2A 2143/4885
US-20110015437-A1 USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS MC1R, MC5R, MCHR1 MAPT 4502/4885KDM4E 2870/4885KMT2A 2143/4885
US-20130295009-A1 METHOD OF TREATING INFLAMMATION MC2R, MC5R, MC1R MAPT 3465/4885KDM4E 3363/4885KMT2A 3098/4885
US-20120178820-A1 METHOD FOR TREATING ARTHRITIS MC5R, MC1R, MC2R MAPT 3995/4885KDM4E 3527/4885KMT2A 2794/4885

“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.