SCHEMBL3501548

SCHEMBL3501548

CCOc1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.60
KMT2A Q03164 7/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
GSTP1 P09211 8/20 0.54
GSTM2 P28161 8/20 0.54
IDO1 P14902 5/20 0.49
USP2 O75604 2/20 0.48
G6PD P11413 1/20 0.48
CASP6 P55212 1/20 0.48
HTT P42858 1/20 0.48
RECQL P46063 1/20 0.48
POLB P06746 1/20 0.48
TNNI3 P19429 1/20 0.48
TNNT2 P45379 1/20 0.48
TNNC1 P63316 1/20 0.48
MYC P01106 1/20 0.48

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
SCHEMBL3500091 0.85 MEN1 (0.60) MEN1KMT2ANPC1RAB9AGSTP1
SCHEMBL3501565 0.85 GSTP1 (0.52) MEN1KMT2ANPC1RAB9AGSTP1
SCHEMBL32687089 0.83 MEN1 (0.47) MEN1KMT2ANPC1RAB9AGSTP1
SCHEMBL7052057 0.82 GSTM2 (0.66) MEN1KMT2AGSTP1GSTM2IDO1
SCHEMBL5708748 0.81 MAPT (0.44) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL6849943 0.81 TXNRD1 (0.46) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL20466174 0.81 GSTP1 (0.58) MEN1KMT2ANPC1RAB9AGSTP1
SCHEMBL10089701 0.80 GSTM2 (0.56) MEN1KMT2ANPC1RAB9AGSTP1
SCHEMBL31320344 0.79 GSTP1 (0.57) MEN1KMT2ANPC1RAB9AGSTP1
SCHEMBL18896943 0.78 IDO1 (0.63) MEN1KMT2ANPC1RAB9AGSTP1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184601-A1 Method and Means Relating to Multiple Herbicide Resistance in Plants UNIVERSITY OF DURHAM (GB) 2010-07-22 US claimed
EP-2190290-A2 METHOD AND MEANS RELATING TO MULTIPLE HERBICIDE RESISTANCE IN PLANTS University Of Durham (GB) 2010-06-02 EP claimed
WO-2009034396-A2 METHOD AND MEANS RELATING TO MULTIPLE HERBICIDE RESISTANCE IN PLANTS UNIVERSITY OF DURHAM (GB) 2009-03-19 WO claimed
EP-1328244-B1 AGENT AND METHOD FOR COLOURING KERATIN FIBRES WELLA AG (DE) 2006-10-11 EP claimed
US-6773463-B2 A MIXTURE OF A 4-NITRO-2,1,3-BENZOXADIAZOLE, A 4-NITRO-2,1,3-BENZOTHIADIAZOLE, OR A 4-NITRO-2,1,3-BENZO-SELENADIAZOLE AND AT LEAST ONE AMINE, PHENOL, OR AMINONITROBENZENE; INTENSE COLORATIONS; MILD CONDITIONS; DIRECT HAIR DYE WELLA AKTIENGESELLSCHAFT (DE) 2004-08-10 US claimed
US-6749645-B2 RED AND BLUE DIRECT DYE; HAIR WELLA AKTIENGESELLSCHAFT (DE) 2004-06-15 US claimed
EP-1328244-A1 AGENT AND METHOD FOR COLOURING KERATIN FIBRES Wella Aktiengesellschaft (DE) 2003-07-23 EP 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-20030070239-A1 Agent and method for dyeing keratin fibers HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-04-17 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
WO-2002022093-A1 AGENT AND METHOD FOR COLOURING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2002-03-21 WO 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-20100184601-A1 Method and Means Relating to Multiple Herbicide Resistance in Plants UNIVERSITY OF DURHAM (GB) 2010-07-22 US disclosed
US-20100184601-A1 Method and Means Relating to Multiple Herbicide Resistance in Plants UNIVERSITY OF DURHAM (GB) 2010-07-22 US disclosed
US-20100184601-A1 Method and Means Relating to Multiple Herbicide Resistance in Plants UNIVERSITY OF DURHAM (GB) 2010-07-22 US disclosed
EP-2190290-A2 METHOD AND MEANS RELATING TO MULTIPLE HERBICIDE RESISTANCE IN PLANTS University Of Durham (GB) 2010-06-02 EP disclosed
US-20030070239-A1 Agent and method for dyeing keratin fibers HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-04-17 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
WO-2002022093-A1 AGENT AND METHOD FOR COLOURING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2002-03-21 WO 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 (3 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 2588/4885NPC1 3590/4885
US-20100184601-A1 Method and Means Relating to Multiple Herbicide Resistance in Plants GSTO1, GSTP1, GSR MEN1 4463/4885KMT2A 1267/4885NPC1 3081/4885
US-20030070239-A1 Agent and method for dyeing keratin fibers KRT18, AOC1, S100B MEN1 2811/4885KMT2A 686/4885NPC1 4185/4885

“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.