SCHEMBL3697527

SCHEMBL3697527

COc1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(Nc4nc(Cl)nc(Cl)n4)ccc3c2O)c(S(=O)(=O)O)c1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 3/20 0.69
▸ CARM1 Q86X55 1/20 0.69
▸ FUT8 Q9BYC5 1/20 0.52
▸ CD40 P25942 1/20 0.50
▸ CD40LG P29965 1/20 0.50
▸ ENPP2 Q13822 10/20 0.48
▸ PRMT3 O60678 1/20 0.43
▸ EP300 Q09472 1/20 0.43
▸ PRMT6 Q96LA8 1/20 0.43
▸ PHLPP2 Q6ZVD8 1/20 0.42
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4166597 1.00 PRMT1 (0.69) PRMT1CARM1FUT8CD40CD40LG
SCHEMBL13881052 0.94 PRMT1 (0.60) PRMT1CARM1FUT8CD40CD40LG
SCHEMBL9412036 0.90 PRMT1 (0.55) PRMT1CARM1FUT8CD40CD40LG
SCHEMBL3692866 0.87 PRMT1 (0.56) PRMT1CARM1FUT8CD40CD40LG
SCHEMBL18232417 0.86 PRMT1 (0.51) PRMT1CARM1FUT8CD40CD40LG
SCHEMBL3691652 0.85 FUT8 (0.69) PRMT1CARM1FUT8CD40CD40LG
SCHEMBL3691645 0.85 FUT8 (0.69) PRMT1CARM1FUT8CD40CD40LG
SCHEMBL8972359 0.85 CD40 (0.56) PRMT1CARM1CD40CD40LGENPP2
SCHEMBL71170 0.85 CD40 (0.56) PRMT1CARM1CD40CD40LGENPP2
SCHEMBL10343440 0.85 CD40 (0.56) PRMT1CARM1CD40CD40LGENPP2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367823-B2 Colorants based N-halamines compositions and method of making and using BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-02-05 — — US disclosed
EP-2201069-A2 COLORANTS BASED N-HALAMINES COMPOSITIONS AND METHOD OF MAKING AND USING Board of Regents, The University of Texas System (US) 2010-06-30 — — EP disclosed
WO-2009039180-A2 COLORANTS BASED N-HALAMINES COMPOSITIONS AND METHOD OF MAKING AND USING BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-03-26 — — WO disclosed
US-20090074825-A1 COLORANTS BASED N-HALAMINES COMPOSITIONS AND METHOD OF MAKING AND USING BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-03-19 — — US disclosed
US-5197992-A Disazo dye, naphthol dye with triazole groups for wool, silk, polyamides and cellulose with triphenodioxazines IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-30 — — US disclosed
US-5196033-A BIS-azotriazinyl reactive dyes having an N-alkyl-phenylenediamine link for cellulose textiles IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-23 — — US disclosed
US-5059681-A BIS-AZOTRIAZINYL REACTIVE DYES HAVING AN N-ALKYL-PHENYLENEDIAMINE LINK IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-22 — — 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-20090074825-A1 COLORANTS BASED N-HALAMINES COMPOSITIONS AND METHOD OF MAKING AND USING TYR, MPO, NISCH PRMT1 949/4885CARM1 988/4885FUT8 651/4885

“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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