SCHEMBL6831327

SCHEMBL6831327

O=[N+]([O-])c1ccc(Sc2ccc(Cl)cc2)c2nonc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.76
GSTP1 P09211 15/20 0.75
GSTM2 P28161 15/20 0.75
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
NSD2 O96028 1/20 0.55
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.55
HSP90AA1 P07900 1/20 0.55
MAPT P10636 1/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
RECQL P46063 1/20 0.55
RAB9A P51151 1/20 0.55
BLM P54132 1/20 0.55
CASP6 P55212 1/20 0.55
KMT2A Q03164 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TLR9 Q9NR96 1/20 0.55

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
SCHEMBL6833698 0.87 IDO1 (0.78) IDO1GSTP1GSTM2KDM4EMEN1
SCHEMBL6049433 0.86 IDO1 (0.76) IDO1GSTP1GSTM2
SCHEMBL18895761 0.86 IDO1 (0.76) IDO1GSTP1GSTM2KDM4EMEN1
SCHEMBL297920 0.86 IDO1 (1.00) IDO1GSTP1GSTM2CASP6
SCHEMBL297980 0.86 IDO1 (1.00) IDO1GSTP1GSTM2KDM4EMEN1
SCHEMBL18895758 0.86 IDO1 (0.76) IDO1GSTP1GSTM2KDM4EMEN1
SCHEMBL6831349 0.86 IDO1 (0.76) IDO1GSTP1GSTM2KDM4EMEN1
SCHEMBL6836307 0.86 GSTP1 (1.00) IDO1GSTP1GSTM2KDM4EMEN1
SCHEMBL18878890 0.85 GSTP1 (0.77) IDO1GSTP1GSTM2KDM4EMEN1
SCHEMBL295687 0.84 IDO1 (1.00) IDO1GSTP1GSTM2KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6749645-B2 RED AND BLUE DIRECT DYE; HAIR WELLA AKTIENGESELLSCHAFT (DE) 2004-06-15 US claimed
EP-1317242-A1 USE OF 4-NITRO-2,1,3-BENZOXADIAZOL DERIVATIVES AS DYES IN COLOURING AGENTS FOR KERATIN FIBRES Wella Aktiengesellschaft (DE) 2003-06-11 EP claimed
US-20020189032-A1 Use of 4-nitro-2,1,3,-benzoxadiazole derivatives as dyes in colouring agents for keratin fibres HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2002-12-19 US claimed
WO-2002022094-A1 USE OF 4-NITRO-2,1,3-BENZOXADIAZOL DERIVATIVES AS DYES IN COLOURING AGENTS FOR KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2002-03-21 WO claimed
US-9664696-B1 Compounds for determining the presence of hydrogen sulfide and methods of use UNIVERSITY OF OREGON (US) 2017-05-30 US disclosed
US-9664696-B1 Compounds for determining the presence of hydrogen sulfide and methods of use UNIVERSITY OF OREGON (US) 2017-05-30 US disclosed
US-6749645-B2 RED AND BLUE DIRECT DYE; HAIR WELLA AKTIENGESELLSCHAFT (DE) 2004-06-15 US disclosed
EP-1317242-A1 USE OF 4-NITRO-2,1,3-BENZOXADIAZOL DERIVATIVES AS DYES IN COLOURING AGENTS FOR KERATIN FIBRES Wella Aktiengesellschaft (DE) 2003-06-11 EP disclosed
US-20020189032-A1 Use of 4-nitro-2,1,3,-benzoxadiazole derivatives as dyes in colouring agents for keratin fibres HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2002-12-19 US disclosed
WO-2002022094-A1 USE OF 4-NITRO-2,1,3-BENZOXADIAZOL DERIVATIVES AS DYES IN COLOURING AGENTS FOR KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2002-03-21 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-20020189032-A1 Use of 4-nitro-2,1,3,-benzoxadiazole derivatives as dyes in colouring agents for keratin fibres CBR1, CYC1, CBR3 IDO1 1716/4885GSTP1 2298/4885GSTM2 2512/4885

“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.