SCHEMBL916617

SCHEMBL916617

COc1ccc(C=NNC(N)=NOS(=O)(=O)c2ccc(C)cc2)c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
POLB P06746 3/20 0.53
ADORA2A P29274 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
GUSB P08236 1/20 0.44
MAPT P10636 5/20 0.44
LMNA P02545 4/20 0.44
HTT P42858 3/20 0.44
ALDH1A1 P00352 3/20 0.43
MITF O75030 1/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 3/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
PPARG P37231 1/20 0.42
SMN1; SMN2 Q16637 1/20 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
SCHEMBL916513 0.91 NCOA1 (0.49) MEN1KMT2APOLBMAPTLMNA
SCHEMBL2068627 0.88 MEN1 (0.50) MEN1KMT2APOLBMAPTLMNA
SCHEMBL915677 0.85 ALDH1A1 (0.44) MEN1KMT2APOLBCA1CA2
SCHEMBL914944 0.84 KMT2A (0.55) MEN1KMT2ACA1CA2CA12
SCHEMBL2066512 0.84 KMT2A (0.58) MEN1KMT2APOLBMAPTLMNA
SCHEMBL914621 0.83 ALDH1A1 (0.47) MEN1KMT2APOLBMAPTLMNA
SCHEMBL916436 0.83 MAPT (0.54) MEN1KMT2APOLBMAPTLMNA
SCHEMBL2067091 0.82 KMT2A (0.50) MEN1KMT2AMAPTLMNAHTT
SCHEMBL915458 0.82 ALDH1A1 (0.49) MEN1KMT2APOLBMAPTLMNA
SCHEMBL916088 0.82 ALDH1A1 (0.47) MEN1KMT2APOLBMAPTLMNA

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 MEN1 1668/4885KMT2A 2143/4885POLB 3668/4885
US-20040024060-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MC1R, MC5R, MCHR1 MEN1 1573/4885KMT2A 2134/4885POLB 3659/4885
US-20070088085-A1 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands MC1R, MC5R, MCHR1 MEN1 1668/4885KMT2A 2143/4885POLB 3668/4885
US-20110015437-A1 USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS MC1R, MC5R, MCHR1 MEN1 1668/4885KMT2A 2143/4885POLB 3668/4885
US-20130295009-A1 METHOD OF TREATING INFLAMMATION MC2R, MC5R, MC1R MEN1 2718/4885KMT2A 3098/4885POLB 3116/4885
US-20120178820-A1 METHOD FOR TREATING ARTHRITIS MC5R, MC1R, MC2R MEN1 1696/4885KMT2A 2794/4885POLB 3257/4885

“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.