SCHEMBL4078302

SCHEMBL4078302

N=Nc1c(S(=O)(=O)O)cc2cc(N)ccc2c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 2/20 0.49
NSD2 O96028 1/20 0.49
DUSP3 P51452 1/20 0.49
PTPN5 P54829 1/20 0.49
PTPN11 Q06124 1/20 0.49
PHLPP2 Q6ZVD8 1/20 0.48
ENPP2 Q13822 5/20 0.44
NT5E P21589 1/20 0.42
PRMT3 O60678 1/20 0.39
EP300 Q09472 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT1 Q99873 1/20 0.39
CD40 P25942 1/20 0.39
CD40LG P29965 1/20 0.39
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
PLAU P00749 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 2/20 0.37
HIF1A Q16665 2/20 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
SCHEMBL29702399 0.83 ENPP2 (0.58) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL29702431 0.82 ENPP2 (0.59) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL20682072 0.82 MPL (0.49) PHLPP2ENPP2PRMT3EP300PRMT6
SCHEMBL10600174 0.81 PHLPP2 (0.60) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL8035550 0.81 PHLPP2 (0.57) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL10014029 0.80 CASP6 (0.55) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL8414600 0.80 PRMT3 (0.61) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL27100624 0.80 ENPP2 (0.60) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL13474894 0.80 ENPP2 (0.60) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL10587918 0.80 ENPP2 (0.60) CASP6NSD2DUSP3PTPN5PTPN11

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 CASP6 1326/4885NSD2 678/4885DUSP3 1165/4885

“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.