SCHEMBL6833765

SCHEMBL6833765

O=[N+]([O-])c1ccc(Oc2ccc([N+](=O)[O-])c3nonc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.49
KMT2A Q03164 7/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
HSPB1 P04792 3/20 0.49
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.49
IDO1 P14902 4/20 0.48
GSTP1 P09211 2/20 0.46
GSTM2 P28161 2/20 0.46
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 2/20 0.44
MYC P01106 2/20 0.44
USP2 O75604 1/20 0.44
TNNI3 P19429 1/20 0.44

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
SCHEMBL13254359 0.87 IDO1 (0.56) MEN1KMT2ANPC1RAB9AHSPB1
SCHEMBL18895765 0.87 IDO1 (0.56) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL18896943 0.87 IDO1 (0.63) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL18895762 0.87 MEN1 (0.48) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL18895768 0.87 IDO1 (0.51) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL18895763 0.87 IDO1 (0.56) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL18895764 0.87 MEN1 (0.55) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL3504074 0.87 MEN1 (0.55) MEN1KMT2AMAPTALDH1A1IDO1
SCHEMBL26106550 0.86 MEN1 (0.46) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL18895772 0.85 MEN1 (0.46) MEN1KMT2ANPC1RAB9AMAPT

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 MEN1 4392/4885KMT2A 2588/4885NPC1 3590/4885

“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.