SCHEMBL916508

SCHEMBL916508

COc1cc(C=NNC(N)=NOS(=O)(=O)c2ccc(C)cc2)cc(OC)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.53
LMNA P02545 7/20 0.53
HTT P42858 2/20 0.53
KMT2A Q03164 7/20 0.53
POLB P06746 3/20 0.48
PTGS2 P35354 1/20 0.48
MAPT P10636 9/20 0.47
TDP1 Q9NUW8 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 2/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 4/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GFER P55789 1/20 0.46
KDM4E B2RXH2 2/20 0.45
PKM P14618 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 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
SCHEMBL915570 0.92 ALDH1A1 (0.53) ALDH1A1LMNAHTTKMT2APOLB
SCHEMBL915541 0.88 ALDH1A1 (0.57) ALDH1A1LMNAHTTKMT2APTGS2
SCHEMBL914621 0.87 ALDH1A1 (0.47) ALDH1A1LMNAHTTKMT2APOLB
SCHEMBL916652 0.85 MAPT (0.44) ALDH1A1LMNAHTTKMT2AMAPT
SCHEMBL915982 0.85 ALDH1A1 (0.56) ALDH1A1LMNAHTTKMT2AMAPT
SCHEMBL915518 0.85 ALDH1A1 (0.56) ALDH1A1LMNAHTTKMT2AMAPT
SCHEMBL915458 0.84 ALDH1A1 (0.49) ALDH1A1LMNAHTTKMT2APOLB
SCHEMBL916088 0.84 ALDH1A1 (0.47) ALDH1A1LMNAHTTKMT2APOLB
SCHEMBL2068634 0.84 MAPT (0.45) ALDH1A1LMNAHTTKMT2AMAPT
SCHEMBL2066512 0.84 KMT2A (0.58) ALDH1A1LMNAHTTKMT2APOLB

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 10 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
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-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-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 (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-20040024060-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MC1R, MC5R, MCHR1 ALDH1A1 1756/4885LMNA 4614/4885HTT 336/4885
US-20070088085-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MC1R, MC5R, MCHR1 ALDH1A1 1879/4885LMNA 4609/4885HTT 333/4885
US-20110015437-A1 USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS MC1R, MC5R, MCHR1 ALDH1A1 1879/4885LMNA 4609/4885HTT 333/4885
US-20130295009-A1 METHOD OF TREATING INFLAMMATION MC2R, MC5R, MC1R ALDH1A1 1930/4885LMNA 3918/4885HTT 1123/4885
US-20120178820-A1 METHOD FOR TREATING ARTHRITIS MC5R, MC1R, MC2R ALDH1A1 2132/4885LMNA 4542/4885HTT 300/4885

“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.