SCHEMBL916652

SCHEMBL916652

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.44
HTT P42858 7/20 0.44
KMT2A Q03164 6/20 0.44
LMNA P02545 5/20 0.44
MEN1 O00255 5/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 1/20 0.43
ERN1 O75460 6/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
RBM39 Q14498 1/20 0.42
NPC1 O15118 2/20 0.42
MITF O75030 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42

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
SCHEMBL915906 0.85 KDM4E (0.54) MAPTHTTKMT2ALMNAMEN1
SCHEMBL916152 0.85 MAPT (0.55) MAPTHTTKMT2ALMNAMEN1
SCHEMBL916508 0.85 ALDH1A1 (0.53) MAPTHTTKMT2ALMNAMEN1
SCHEMBL915719 0.85 MAPT (0.49) MAPTHTTKMT2ALMNAMEN1
SCHEMBL916592 0.84 MAPT (0.61) MAPTHTTKMT2ALMNAMEN1
SCHEMBL915458 0.84 ALDH1A1 (0.49) MAPTHTTKMT2ALMNAMEN1
SCHEMBL2068591 0.83 PARP1 (0.48) MAPTHTTKMT2ALMNAMEN1
SCHEMBL915123 0.82 MAPT (0.44) MAPTHTTKMT2ALMNAMEN1
SCHEMBL2066618 0.82 MAPT (0.62) MAPTHTTKMT2ALMNAMEN1
SCHEMBL2068627 0.81 MEN1 (0.50) MAPTHTTKMT2ALMNAMEN1

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 8 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
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 MAPT 4496/4885HTT 336/4885KMT2A 2134/4885
US-20070088085-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MC1R, MC5R, MCHR1 MAPT 4502/4885HTT 333/4885KMT2A 2143/4885
US-20110015437-A1 USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS MC1R, MC5R, MCHR1 MAPT 4502/4885HTT 333/4885KMT2A 2143/4885
US-20130295009-A1 METHOD OF TREATING INFLAMMATION MC2R, MC5R, MC1R MAPT 3465/4885HTT 1123/4885KMT2A 3098/4885
US-20120178820-A1 METHOD FOR TREATING ARTHRITIS MC5R, MC1R, MC2R MAPT 3995/4885HTT 300/4885KMT2A 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.