SCHEMBL5674149

SCHEMBL5674149

O=[C]c1cccc2nccc([N+](=O)[O-])c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
EGFR P00533 2/20 0.40
PDE10A Q9Y233 1/20 0.38
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
TXNRD1 Q16881 1/20 0.37
TXNRD3 Q86VQ6 1/20 0.37
TXNRD2 Q9NNW7 1/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
FGFR1 P11362 1/20 0.35
CTSB P07858 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
IDO1 P14902 1/20 0.35

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
SCHEMBL31067279 0.78 POLB (0.50) POLBNCOA1NCOA3EGFRPDE10A
SCHEMBL5909618 0.75 ERN1 (0.49) POLBNCOA1NCOA3EGFRPDE10A
SCHEMBL4905093 0.74 ALDH1A1 (0.58) POLBNCOA1NCOA3EGFRPDE10A
SCHEMBL31067270 0.74 POLB (0.54) POLBNCOA1NCOA3EGFRPDE10A
SCHEMBL27789837 0.74 POLB (0.54) POLBNCOA1NCOA3EGFRPDE10A
SCHEMBL3274442 0.74 POLB (0.54) POLBNCOA1NCOA3EGFRPDE10A
SCHEMBL30517039 0.71 KDM4E (0.50) POLBNCOA1NCOA3EGFRPDE10A
SCHEMBL8545932 0.71 KDM4E (0.50) POLBNCOA1NCOA3EGFRPDE10A
SCHEMBL538895 0.69 POLB (0.77) POLBNCOA1NCOA3ALDH1A1TDP1
SCHEMBL30531716 0.68 POLB (0.74) POLBNCOA1NCOA3ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1820106-A Reactive yellow fluorescent dye-containing ink for digital textile printing DYSTAR TEXTILFARBEN GMBH & CO (DE) 2006-08-16 CN disclosed
US-20060107869-A1 Inks for digital textile printing with reactive yellow fluorescent dyes DYSTAR TEXTILF DEUTSCHLAND KG (DE) 2006-05-25 US disclosed
EP-1646748-A2 INKS FOR DIGITAL TEXTILE PRINTING WITH REACTIVE YELLOW FLUORESCENT DYES DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2006-04-19 EP disclosed
EP-1328588-B1 METAL COMPLEX COLOURING AGENTS BASED ON BUCHERER NAPHTHOLS DYSTAR TEXTILFARBEN GMBH & CO (DE) 2006-01-11 EP disclosed
WO-2005005553-A2 INKS FOR DIGITAL TEXTILE PRINTING WITH REACTIVE YELLOW FLUORESCENT DYES DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2005-01-20 WO disclosed
US-6809187-B2 FIBER REACTIVE COPPER, COBALT OR CHROMIUM CHELATES; LIGHT-FASTNESS; EFFICIENT UNFIXED MATERIAL WASHOFF OYSTAR TEXTIL FARBEN GMBH & CO. (DE) 2004-10-26 US disclosed
US-20040054154-A1 Metal complex dyes based bucherered naphthols DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2004-03-18 US disclosed
EP-1328588-A1 METAL COMPLEX COLOURING AGENTS BASED ON BUCHERER NAPHTHOLS DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2003-07-23 EP disclosed
WO-2002033006-A1 METAL COMPLEX COLOURING AGENTS BASED ON BUCHERER NAPHTHOLS DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2002-04-25 WO disclosed
EP-0748850-B1 Dyestuffs, process for their preparation and their use CIBA SC HOLDING AG (CH) 2001-07-04 EP disclosed
US-4122079-A Reactive azo dyestuffs from diazotized sulfo-amino naphthalenes and diaminosulfobenzenes BAYER AKTIENGESELLSCHAFT (DE) 1978-10-24 US disclosed
US-4118382-A DYES FOR CELLULOSE, WOOL, SILK, POLYAMIDE, AND POLYURETHANE FIBERS BAYER AKTIENGESELLSCHAFT (DE) 1978-10-03 US disclosed
US-4089895-A COUPLER FOR AZO DYES BAYER AKTIENGESELLSCHAFT (DT) 1978-05-16 US disclosed
US-4072463-A MONOAZO AND DISAZO DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DT) 1978-02-07 US disclosed
US-4065446-A Reactive dyestuffs containing urea alkylene linkage between chromophore and reactive radical BAYER AKTIENGESELLSCHAFT (DT) 1977-12-27 US disclosed
US-4051134-A Reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 US disclosed
US-4049704-A AZO REACTIVE DYES BAYER AKTIENGESELLSCHAFT (DT) 1977-09-20 US disclosed
US-3989692-A PHTHALOCYANINE DYES, WOOL, SILK, POLYAMIDES, CELLULOSE BAYER AKTIENGESELLSCHAFT (DT) 1976-11-02 US disclosed
US-3988310-A FIBER-REACTIVE DYES; CELLULOSE BAYER AKTIENGESELLSCHAFT (DT) 1976-10-26 US disclosed
US-3957751-A WATER-SOLUBLE REACTIVE DYESTUFFS OF THE MONOAZO SERIES CONTAINING AN ACTIVE METHYLENE COUPLING COMPONENT HOECHST AKTIENGESELLSCHAFT (DT) 1976-05-18 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 (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-20060107869-A1 Inks for digital textile printing with reactive yellow fluorescent dyes IK, COL1A1, DDX41 POLB 4190/4885NCOA1 2265/4885NCOA3 3446/4885

“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.