SCHEMBL3499733

SCHEMBL3499733

O=[N+]([O-])c1ccc(Br)c2nsnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 3/20 0.54
TXNRD3 Q86VQ6 3/20 0.54
TXNRD2 Q9NNW7 3/20 0.54
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PTPN11 Q06124 1/20 0.40
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
NOS1 P29475 1/20 0.39
CYP2C19 P33261 1/20 0.39
NOS2 P35228 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL15220551 0.88 TXNRD1 (0.66) TXNRD1TXNRD3TXNRD2KMT2AL3MBTL1
SCHEMBL10627279 0.78 TXNRD1 (0.54) TXNRD1TXNRD3TXNRD2KMT2APTPN11
SCHEMBL22443268 0.78 TXNRD1 (0.54) TXNRD1TXNRD3TXNRD2KMT2AL3MBTL1
SCHEMBL3181251 0.78 TXNRD1 (0.54) TXNRD1TXNRD3TXNRD2KMT2AL3MBTL1
SCHEMBL5708827 0.78 TXNRD1 (0.54) TXNRD1TXNRD3TXNRD2KMT2APTPN11
SCHEMBL246997 0.77 MAPT (0.44) TXNRD1TXNRD3TXNRD2KMT2AL3MBTL1
SCHEMBL3511031 0.76 TXNRD1 (0.53) TXNRD1TXNRD3TXNRD2KMT2AL3MBTL1
SCHEMBL5708753 0.76 TXNRD1 (0.51) TXNRD1TXNRD3TXNRD2KMT2AL3MBTL1
SCHEMBL28482136 0.76 KMT2A (0.56) TXNRD1TXNRD3TXNRD2KMT2AL3MBTL1
SCHEMBL3192786 0.74 IDO1 (0.57) KMT2AL3MBTL1MAPTMEN1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116903782-B Polyacrylate fluorescent probe based on benzothiadiazole, synthesis method and application thereof in monitoring lipid droplets 齐鲁工业大学(山东省科学院) 2024-06-11 CN claimed
CN-116903782-A Polyacrylate fluorescent probe based on benzothiadiazole, synthesis method and application thereof in monitoring lipid droplets 齐鲁工业大学(山东省科学院) 2023-10-20 CN claimed
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
EP-1328244-A1 AGENT AND METHOD FOR COLOURING KERATIN FIBRES Wella Aktiengesellschaft (DE) 2003-07-23 EP claimed
US-20030070239-A1 Agent and method for dyeing keratin fibers HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-04-17 US claimed
WO-2002022093-A1 AGENT AND METHOD FOR COLOURING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2002-03-21 WO claimed
CN-116903782-B Polyacrylate fluorescent probe based on benzothiadiazole, synthesis method and application thereof in monitoring lipid droplets 齐鲁工业大学(山东省科学院) 2024-06-11 CN disclosed
CN-116903782-A Polyacrylate fluorescent probe based on benzothiadiazole, synthesis method and application thereof in monitoring lipid droplets 齐鲁工业大学(山东省科学院) 2023-10-20 CN disclosed
US-11702597-B2 Azo dye MERCK PATENT GMBH (DE) 2023-07-18 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-1328244-B1 AGENT AND METHOD FOR COLOURING KERATIN FIBRES WELLA AG (DE) 2006-10-11 EP disclosed
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 disclosed
EP-1328244-A1 AGENT AND METHOD FOR COLOURING KERATIN FIBRES Wella Aktiengesellschaft (DE) 2003-07-23 EP disclosed
US-20030070239-A1 Agent and method for dyeing keratin fibers HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-04-17 US disclosed
WO-2002022093-A1 AGENT AND METHOD FOR COLOURING 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 (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-20100184601-A1 Method and Means Relating to Multiple Herbicide Resistance in Plants GSTO1, GSTP1, GSR TXNRD1 142/4885TXNRD3 81/4885TXNRD2 144/4885
US-20030070239-A1 Agent and method for dyeing keratin fibers KRT18, AOC1, S100B TXNRD1 1031/4885TXNRD3 1074/4885TXNRD2 1261/4885

“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.