SCHEMBL13845525

SCHEMBL13845525

O=C(Nc1ccc2c(O)c(/N=N/c3ccc4cc(SOOO)ccc4c3)c(SOOO)cc2c1)Nc1ccc2c(O)c(/N=N/c3ccc4cc(S(=O)(=O)O)ccc4c3)c(S(=O)(=O)O)cc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 10/20 0.68
▸ CD40 P25942 1/20 0.60
▸ CD40LG P29965 1/20 0.60
▸ PRMT1 Q99873 4/20 0.52
▸ PRMT3 O60678 1/20 0.52
▸ EP300 Q09472 1/20 0.52
▸ PRMT6 Q96LA8 1/20 0.52
▸ PTPN11 Q06124 2/20 0.44
▸ CA2 P00918 1/20 0.40
▸ CA3 P07451 1/20 0.40
▸ CARM1 Q86X55 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.36
▸ PTPRC P08575 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ PTPN6 P29350 1/20 0.36
▸ PTPN7 P35236 1/20 0.36
▸ PTPRJ Q12913 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
SCHEMBL13845510 0.93 ENPP2 (0.57) ENPP2CD40CD40LGPRMT1PRMT3
SCHEMBL12975927 0.89 CD40 (0.56) ENPP2CD40CD40LGPRMT1PRMT3
SCHEMBL13046146 0.82 PRMT1 (0.79) ENPP2CD40CD40LGPRMT1PRMT3
SCHEMBL14001725 0.80 CD40 (0.55) ENPP2CD40CD40LGPTPN11CYP1A2
SCHEMBL30661045 0.80 ENPP2 (0.96) ENPP2CD40CD40LGPRMT1PRMT3
SCHEMBL14370961 0.78 CD40 (0.69) ENPP2CD40CD40LGPRMT1PRMT3
SCHEMBL13845494 0.78 CD40 (0.49) ENPP2CD40CD40LGPRMT1PRMT3
SCHEMBL13615140 0.77 PTPN11 (0.45) ENPP2CD40CD40LGPTPN11CYP1A2
SCHEMBL14001714 0.77 CD40 (0.45) ENPP2CD40CD40LGPTPN11CYP1A2
SCHEMBL14001762 0.76 PTPN11 (0.42) ENPP2CD40CD40LGPTPN11CYP1A2

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 2 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

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 1644/4885CD40 4510/4885CD40LG 3210/4885

“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.

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