SCHEMBL3691645

SCHEMBL3691645

O=S(=O)(O)c1ccccc1/N=N/c1c(S(=O)(=O)O)cc2cc(Nc3nc(Cl)nc(Cl)n3)ccc2c1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.69
▸ PRMT1 Q99873 2/20 0.57
▸ CARM1 Q86X55 1/20 0.57
▸ CD40 P25942 1/20 0.50
▸ CD40LG P29965 1/20 0.50
▸ ENPP2 Q13822 8/20 0.49
▸ PRMT3 O60678 1/20 0.48
▸ EP300 Q09472 1/20 0.48
▸ PRMT6 Q96LA8 1/20 0.48
▸ CYP1A2 P05177 3/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ CYP2C9 P11712 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ DNASE1L3 Q13609 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ PHLPP2 Q6ZVD8 2/20 0.41

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
SCHEMBL3691652 1.00 FUT8 (0.69) FUT8PRMT1CARM1CD40CD40LG
SCHEMBL13881028 0.90 FUT8 (0.57) FUT8PRMT1CARM1CD40CD40LG
SCHEMBL14495332 0.90 FUT8 (0.57) FUT8PRMT1CARM1CD40CD40LG
SCHEMBL13881048 0.86 PRMT1 (0.57) FUT8PRMT1CARM1CD40CD40LG
SCHEMBL4166597 0.85 PRMT1 (0.69) FUT8PRMT1CARM1CD40CD40LG
SCHEMBL3697527 0.85 PRMT1 (0.69) FUT8PRMT1CARM1CD40CD40LG
SCHEMBL11671160 0.85 PRMT1 (0.68) FUT8PRMT1CARM1CD40CD40LG
SCHEMBL13406580 0.84 FUT8 (0.57) FUT8PRMT1CARM1CD40CD40LG
SCHEMBL28487207 0.83 PRMT1 (0.55) FUT8PRMT1CARM1CD40CD40LG
SCHEMBL17515775 0.83 PRMT3 (0.61) FUT8PRMT1CD40CD40LGENPP2

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 6 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
US-20090098074-A1 Keratin-Binding Effector Molecules Containing Reactive Dyes BASF SE (DE) 2009-04-16 — — US 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
WO-2007063024-A2 KERATIN-BINDING EFFECTOR MOLECULES CONTAINING REACTIVE DYES BASF SE (DE) 2007-06-07 — — 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-20090098074-A1 Keratin-Binding Effector Molecules Containing Reactive Dyes KRT18, KLK3, KLKB1 FUT8 2015/4885PRMT1 1728/4885CARM1 4397/4885
US-20090074825-A1 COLORANTS BASED N-HALAMINES COMPOSITIONS AND METHOD OF MAKING AND USING TYR, MPO, NISCH FUT8 651/4885PRMT1 949/4885CARM1 988/4885

“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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