SCHEMBL4084057

SCHEMBL4084057

COc1cc(N=Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(O)c23)c(C)cc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 6/20 0.53
PRMT1 Q99873 2/20 0.50
NT5E P21589 1/20 0.49
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HIF1A Q16665 2/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BRD4 O60885 1/20 0.41
TP53 P04637 1/20 0.41
CREBBP Q92793 1/20 0.41
THRB P10828 1/20 0.40
PHLPP2 Q6ZVD8 1/20 0.38
MAPK1 P28482 1/20 0.37
DNASE1L3 Q13609 1/20 0.37
SUMO2 P61956 1/20 0.36

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
SCHEMBL4084052 1.00 ENPP2 (0.53) ENPP2PRMT1NT5EMEN1KMT2A
SCHEMBL4084068 0.95 ENPP2 (0.51) ENPP2PRMT1NT5EMEN1KMT2A
SCHEMBL4083203 0.87 PRMT1 (0.47) ENPP2PRMT1NT5EMEN1KMT2A
SCHEMBL4083210 0.86 PRMT1 (0.46) ENPP2PRMT1NT5EMEN1KMT2A
SCHEMBL11656372 0.83 ENPP2 (0.56) ENPP2PRMT1NT5EMEN1KMT2A
SCHEMBL11656374 0.83 ENPP2 (0.56) ENPP2PRMT1NT5EMEN1KMT2A
SCHEMBL4083221 0.82 PRMT1 (0.46) ENPP2PRMT1NT5EMEN1KMT2A
SCHEMBL14026027 0.81 ENPP2 (0.49) ENPP2PRMT1MEN1KMT2AHTT
SCHEMBL11320185 0.81 ENPP2 (0.49) ENPP2MEN1KMT2AHTTCYP1A2
SCHEMBL24279857 0.81 ENPP2 (0.62) ENPP2PRMT1MEN1KMT2AHTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531009-B2 6-azo-5,5′-dihydroxy-7,7′-disulfo-2-2′ dinaphthylamine derivatives CIBA SPECIALTY CHEMICALS CORPORATION (US) 2009-05-12 US disclosed
US-20080196180-A1 6-Azo-5,5'-Dihydroxy-7,7'-Disulfo-2-2' Dinaphthylamine Derivatives CIBA SPECIALTY CHEMICALS CORP. 2008-08-21 US disclosed
EP-1838788-A2 6-AZO-5,5'-DIHYDROXY-7,7'-DISULFO-2,2'-DINAPHTHYLAMINE DERIVATIVES Ciba Specialty Chemicals Holding Inc. (CH) 2007-10-03 EP disclosed
WO-2006077189-A2 6-AZO-5,5'-DIHYDROXY-7,7'-DISULFO-2,2'-DINAPHTHYLAMINE DERIVATIVES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-07-27 WO 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 (1 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-20080196180-A1 6-Azo-5,5'-Dihydroxy-7,7'-Disulfo-2-2' Dinaphthylamine Derivatives H1-5, DHODH, DDT ENPP2 1644/4885PRMT1 2442/4885NT5E 43/4885

“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.