SCHEMBL915541

SCHEMBL915541

COc1ccc(C=NNC(N)=NOS(=O)(=O)c2ccc(C)cc2)cc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.57
LMNA P02545 7/20 0.57
HTT P42858 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.52
MAPT P10636 9/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
GFER P55789 2/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KDM4E B2RXH2 2/20 0.48
HPGD P15428 1/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48

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
SCHEMBL915982 0.89 ALDH1A1 (0.56) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL915518 0.89 ALDH1A1 (0.56) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL916508 0.88 ALDH1A1 (0.53) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL915570 0.85 ALDH1A1 (0.53) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL2066512 0.84 KMT2A (0.58) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL917030 0.84 CA12 (0.47) ALDH1A1LMNAHTTMAPTGFER
SCHEMBL914621 0.83 ALDH1A1 (0.47) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL915677 0.83 ALDH1A1 (0.44) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL2067091 0.82 KMT2A (0.50) ALDH1A1LMNAHTTSMN1; SMN2MAPT
SCHEMBL915458 0.82 ALDH1A1 (0.49) ALDH1A1LMNAHTTSMN1; SMN2MAPT

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 ALDH1A1 1879/4885LMNA 4609/4885HTT 333/4885
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.