SCHEMBL6831367

SCHEMBL6831367

COC(=O)c1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)cc1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.78
KMT2A Q03164 10/20 0.78
MYC P01106 9/20 0.76
MAX P61244 6/20 0.76
IDO1 P14902 4/20 0.72
NPC1 O15118 1/20 0.66
RAB9A P51151 1/20 0.66
MAPT P10636 2/20 0.64
OPRK1 P41145 1/20 0.64
PSMD14 O00487 1/20 0.62
RXFP1 Q9HBX9 1/20 0.62

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
SCHEMBL16107923 0.90 MEN1 (0.73) MEN1KMT2AMYCMAXIDO1
SCHEMBL16139686 0.89 MEN1 (0.72) MEN1KMT2AMYCMAXIDO1
SCHEMBL7067454 0.86 MYC (1.00) MEN1KMT2AMYCMAXIDO1
SCHEMBL16107842 0.86 MEN1 (0.71) MEN1KMT2AMYCMAXIDO1
SCHEMBL16107920 0.85 MYC (1.00) MEN1KMT2AMYCMAXIDO1
SCHEMBL16107916 0.85 MYC (0.67) MEN1KMT2AMYCMAXIDO1
SCHEMBL300125 0.84 IDO1 (1.00) MEN1KMT2AMYCMAXIDO1
SCHEMBL16107914 0.84 MYC (0.66) MEN1KMT2AMYCMAXIDO1
SCHEMBL16107913 0.83 MYC (0.65) MEN1KMT2AMYCMAXIDO1
SCHEMBL16107929 0.83 MYC (0.73) MEN1KMT2AMYCMAXIDO1

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
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
US-9242944-B2 Potent analogues of the C-Myc inhibitor 10074-G5 with improved cell permeability UNIVERSITY OF MARYLAND, BALTIMORE (US) 2016-01-26 US disclosed
US-9242944-B2 Potent analogues of the C-Myc inhibitor 10074-G5 with improved cell permeability UNIVERSITY OF MARYLAND, BALTIMORE (US) 2016-01-26 US disclosed
US-9242944-B2 Potent analogues of the C-Myc inhibitor 10074-G5 with improved cell permeability UNIVERSITY OF MARYLAND, BALTIMORE (US) 2016-01-26 US disclosed
US-20140296307-A1 POTENT ANALOGUES OF THE C-MYC INHIBITOR 10074-G5 WITH IMPROVED CELL PERMEABILITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-10-02 US disclosed
US-20140296307-A1 POTENT ANALOGUES OF THE C-MYC INHIBITOR 10074-G5 WITH IMPROVED CELL PERMEABILITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-10-02 US disclosed
US-20140296307-A1 POTENT ANALOGUES OF THE C-MYC INHIBITOR 10074-G5 WITH IMPROVED CELL PERMEABILITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-10-02 US disclosed
US-6749645-B2 RED AND BLUE DIRECT DYE; HAIR WELLA AKTIENGESELLSCHAFT (DE) 2004-06-15 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20140296307-A1 POTENT ANALOGUES OF THE C-MYC INHIBITOR 10074-G5 WITH IMPROVED CELL PERMEABILITY MYC, MYCBP, MKI67 MEN1 204/4885KMT2A 1587/4885MYC 1/4885
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.