SCHEMBL6833676

SCHEMBL6833676

CN(c1ccccc1)c1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 1.00
▸ KMT2A Q03164 6/20 1.00
▸ GSTP1 P09211 7/20 0.52
▸ GSTM2 P28161 7/20 0.52
▸ IDO1 P14902 5/20 0.52
▸ MYC P01106 3/20 0.52
▸ HTT P42858 2/20 0.49
▸ RECQL P46063 2/20 0.49
▸ USP2 O75604 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ POLB P06746 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46

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
SCHEMBL13254361 0.86 MEN1 (0.76) MEN1KMT2AGSTP1GSTM2IDO1
SCHEMBL6831372 0.83 MEN1 (0.70) MEN1KMT2AGSTP1GSTM2IDO1
SCHEMBL6834711 0.82 MEN1 (0.69) MEN1KMT2AGSTP1GSTM2IDO1
SCHEMBL1484117 0.80 MEN1 (0.66) MEN1KMT2AGSTP1GSTM2IDO1
SCHEMBL17914175 0.77 MEN1 (0.63) MEN1KMT2AGSTP1GSTM2IDO1
SCHEMBL7052057 0.76 GSTM2 (0.66) MEN1KMT2AGSTP1GSTM2IDO1
SCHEMBL18007677 0.76 KMT2A (0.61) MEN1KMT2AGSTP1GSTM2IDO1
SCHEMBL1076589 0.75 MEN1 (0.60) MEN1KMT2AGSTP1GSTM2IDO1
SCHEMBL3505281 0.74 MEN1 (0.59) MEN1KMT2AGSTP1GSTM2IDO1
SCHEMBL6810061 0.74 MEN1 (0.59) MEN1KMT2AGSTP1GSTM2IDO1

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 2588/4885GSTP1 2298/4885

“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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