SCHEMBL2066922

SCHEMBL2066922

COc1c(Cl)cc(C=NNC(=N)NOC(C)=O)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 10/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HPGD P15428 3/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 4/20 0.40
RAB9A P51151 1/20 0.40
UBE2N P61088 1/20 0.39

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
SCHEMBL916507 0.88 POLB (0.45) POLBMAPTSMN1; SMN2HPGDLMNA
Acetic Acid SCHEMBL2066916 0.86 POLB (0.52) TDP1POLBMAPTSMN1; SMN2HPGD
Acetic Acid SCHEMBL2066918 0.86 POLB (0.52) TDP1POLBMAPTSMN1; SMN2HPGD
SCHEMBL5571385 0.86 POLB (0.53) TDP1POLBMAPTSMN1; SMN2HPGD
SCHEMBL5571382 0.86 POLB (0.53) TDP1POLBMAPTSMN1; SMN2HPGD
SCHEMBL916609 0.84 MAPT (0.59) TDP1POLBMAPTSMN1; SMN2HPGD
SCHEMBL915608 0.81 ALDH1A1 (0.61) TDP1POLBMAPTSMN1; SMN2HPGD
SCHEMBL917384 0.79 ALDH1A1 (0.49) TDP1POLBMAPTSMN1; SMN2HPGD
SCHEMBL13673565 0.79 MAPT (0.46) TDP1POLBMAPTSMN1; SMN2HPGD
Water SCHEMBL915672 0.78 MAPT (0.45) TDP1POLBMAPTSMN1; SMN2HPGD

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 8 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 disclosed
US-20130295009-A1 METHOD OF TREATING INFLAMMATION HPF IP HOLDING S.A. (LU) 2013-11-07 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-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 (5 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 TDP1 3518/4885POLB 3668/4885MAPT 4502/4885
US-20040024060-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MC1R, MC5R, MCHR1 TDP1 3469/4885POLB 3659/4885MAPT 4496/4885
US-20070088085-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MC1R, MC5R, MCHR1 TDP1 3518/4885POLB 3668/4885MAPT 4502/4885
US-20130295009-A1 METHOD OF TREATING INFLAMMATION MC2R, MC5R, MC1R TDP1 4360/4885POLB 3116/4885MAPT 3465/4885
US-20120178820-A1 METHOD FOR TREATING ARTHRITIS MC5R, MC1R, MC2R TDP1 3706/4885POLB 3257/4885MAPT 3995/4885

“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.