SCHEMBL915085

SCHEMBL915085

COc1cc(C=NNC(N)=NOS(=O)(=O)c2ccc(C)cc2)c(Cl)c(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.44
LMNA P02545 9/20 0.44
KMT2A Q03164 6/20 0.44
HTT P42858 5/20 0.44
MEN1 O00255 5/20 0.44
ALDH1A1 P00352 9/20 0.43
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
GFER P55789 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
POLB P06746 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
SCHEMBL915550 0.89 MAPT (0.47) MAPTLMNAKMT2AHTTMEN1
SCHEMBL2068591 0.89 PARP1 (0.48) MAPTLMNAKMT2AHTTMEN1
SCHEMBL914919 0.87 MAPT (0.57) MAPTLMNAKMT2AHTTMEN1
SCHEMBL915458 0.86 ALDH1A1 (0.49) MAPTLMNAKMT2AHTTMEN1
SCHEMBL915570 0.85 ALDH1A1 (0.53) MAPTLMNAKMT2AHTTMEN1
SCHEMBL6729893 0.84 HSD17B1 (0.43) MAPTLMNAKMT2AHTTMEN1
SCHEMBL915619 0.83 ALDH1A1 (0.56) MAPTLMNAKMT2AHTTMEN1
SCHEMBL915475 0.83 MAPT (0.42) MAPTLMNAKMT2AHTTMEN1
SCHEMBL915473 0.82 MAPT (0.51) MAPTLMNAKMT2AHTTMEN1
SCHEMBL915123 0.82 MAPT (0.44) MAPTLMNAKMT2AHTTMEN1

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 7 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-20070088085-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MELACURE THERAPEUTICS AB (SE) 2007-04-19 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 (4 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-20070088085-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MC1R, MC5R, MCHR1 MAPT 4502/4885LMNA 4609/4885KMT2A 2143/4885
US-20110015437-A1 USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS MC1R, MC5R, MCHR1 MAPT 4502/4885LMNA 4609/4885KMT2A 2143/4885
US-20130295009-A1 METHOD OF TREATING INFLAMMATION MC2R, MC5R, MC1R MAPT 3465/4885LMNA 3918/4885KMT2A 3098/4885
US-20120178820-A1 METHOD FOR TREATING ARTHRITIS MC5R, MC1R, MC2R MAPT 3995/4885LMNA 4542/4885KMT2A 2794/4885

“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.