SCHEMBL915169

SCHEMBL915169

Cc1ccc(S(=O)(=O)ON(N=Cc2cccc([N+](=O)[O-])c2)C(=N)N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
LMNA P02545 3/20 0.53
MAPT P10636 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
NFE2L2 Q16236 1/20 0.46
PTGS2 P35354 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
MCOLN3 Q8TDD5 1/20 0.42
RECQL P46063 2/20 0.42
AGTR1 P30556 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL7066010 0.88 GRIN2D (0.41) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL7062408 0.85 ALDH1A1 (0.39) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL7065975 0.84 MAPT (0.39) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL915932 0.84 PTGS2 (0.47) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL7066729 0.83 ALDH1A1 (0.53) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL7062256 0.82 ALDH1A1 (0.41) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL7062930 0.82 ALDH1A1 (0.39) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL915167 0.82 ALDH1A1 (0.54) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL915168 0.82 ALDH1A1 (0.54) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL7062491 0.82 ALDH1A1 (0.44) ALDH1A1LMNAMAPTMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015437-A1 USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS ACURE PHARMA AB (SE) 2011-01-20 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 (1 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-20110015437-A1 USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS MC1R, MC5R, MCHR1 ALDH1A1 1879/4885LMNA 4609/4885MAPT 4502/4885

“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.