SCHEMBL916660

SCHEMBL916660

Cc1ccc(S(=O)(=O)ON=C(N)NN=Cc2cc(Cl)cc([N+](=O)[O-])c2Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.41
ALDH1A1 P00352 12/20 0.41
LMNA P02545 9/20 0.41
KDM4E B2RXH2 4/20 0.41
POLB P06746 4/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
HTT P42858 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 3/20 0.38
GAA P10253 2/20 0.38
MCL1 Q07820 1/20 0.37
PSMD14 O00487 1/20 0.37

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
SCHEMBL915424 0.88 MEN1 (0.48) MAPTALDH1A1LMNAKDM4EPOLB
SCHEMBL915822 0.88 ALDH1A1 (0.44) MAPTALDH1A1LMNAKDM4EPOLB
SCHEMBL915713 0.85 ALDH1A1 (0.42) MAPTALDH1A1LMNAKDM4EPOLB
SCHEMBL915719 0.83 MAPT (0.49) MAPTALDH1A1LMNAKDM4EPOLB
SCHEMBL915216 0.82 MAPT (0.55) MAPTALDH1A1LMNAKDM4EPOLB
SCHEMBL914327 0.81 MAPT (0.56) MAPTALDH1A1LMNAPOLBMEN1
SCHEMBL915574 0.81 ALDH1A1 (0.46) MAPTALDH1A1LMNAKDM4EPOLB
SCHEMBL914998 0.81 ALDH1A1 (0.61) MAPTALDH1A1LMNAKDM4EMEN1
SCHEMBL916948 0.80 MAPT (0.47) MAPTALDH1A1LMNAKDM4EPOLB
SCHEMBL916954 0.80 MAPT (0.45) MAPTALDH1A1LMNAKDM4EMEN1

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 9 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-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

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 4502/4885ALDH1A1 1879/4885LMNA 4609/4885
US-20040024060-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MC1R, MC5R, MCHR1 MAPT 4496/4885ALDH1A1 1756/4885LMNA 4614/4885
US-20070088085-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MC1R, MC5R, MCHR1 MAPT 4502/4885ALDH1A1 1879/4885LMNA 4609/4885
US-20110015437-A1 USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS MC1R, MC5R, MCHR1 MAPT 4502/4885ALDH1A1 1879/4885LMNA 4609/4885
US-20130295009-A1 METHOD OF TREATING INFLAMMATION MC2R, MC5R, MC1R MAPT 3465/4885ALDH1A1 1930/4885LMNA 3918/4885
US-20120178820-A1 METHOD FOR TREATING ARTHRITIS MC5R, MC1R, MC2R MAPT 3995/4885ALDH1A1 2132/4885LMNA 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.