SCHEMBL6831385

SCHEMBL6831385

O=[N+]([O-])c1cccc(Nc2ccc([N+](=O)[O-])c3nonc23)c1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.74
KMT2A Q03164 11/20 0.74
MYC P01106 7/20 0.74
IDO1 P14902 4/20 0.74
ARNT P27540 1/20 0.67
EPAS1 Q99814 1/20 0.67
MAX P61244 3/20 0.59
MAPT P10636 2/20 0.59
PSMD14 O00487 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
POLB P06746 1/20 0.58
GAA P10253 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
OPRK1 P41145 1/20 0.53

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
SCHEMBL300460 0.86 KMT2A (0.73) MEN1KMT2AMYCIDO1MAX
SCHEMBL300142 0.86 MEN1 (0.72) MEN1KMT2AMYCIDO1ARNT
SCHEMBL15931647 0.86 MEN1 (0.72) MEN1KMT2AMYCIDO1MAX
SCHEMBL6831350 0.86 MEN1 (0.73) MEN1KMT2AMYCIDO1MAX
SCHEMBL3712058 0.85 MEN1 (1.00) MEN1KMT2AMYCIDO1MAX
SCHEMBL16139683 0.85 MEN1 (0.79) MEN1KMT2AMYCIDO1MAX
SCHEMBL6834810 0.84 IDO1 (0.78) MEN1KMT2AMYCIDO1MAX
SCHEMBL16107848 0.83 MYC (1.00) MEN1KMT2AMYCIDO1MAX
SCHEMBL17934470 0.83 MEN1 (0.69) MEN1KMT2AMYCIDO1ARNT
SCHEMBL6836399 0.83 MEN1 (0.63) MEN1KMT2AMYCIDO1MAX

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 8 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-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 MEN1 4392/4885KMT2A 2588/4885MYC 2646/4885

“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.