SCHEMBL692606

SCHEMBL692606

Cc1cc(=O)n(Cc2cc(Cl)c(S(=O)(=O)O)cc2Cl)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL1237628 0.82 ALDH1A1 (0.38) L3MBTL1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL11207106 0.78 LMNA (0.33) ALDH1A1GAA
SCHEMBL692667 0.75 MAPT (0.52) L3MBTL1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL693266 0.73 L3MBTL1 (0.43) L3MBTL1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL8990121 0.70 MAPT (0.54) L3MBTL1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL11438946 0.69 MAPT (0.44) L3MBTL1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL10752755 0.69 ALDH1A1 (0.51) L3MBTL1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL11591802 0.69 ALDH1A1 (0.54) L3MBTL1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL4565135 0.68 CA1 (0.39) L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL693123 0.68 L3MBTL1 (0.47) L3MBTL1KDM4EALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421613-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND A CHELANT AND USE THEREOF The Procter & Gamble Company (US) 2012-02-29 EP claimed
US-7985266-B2 Keratin dyeing compositions comprising a radical scavenger and a chelant and use thereof THE PROCTER & GAMBLE COMPANY (US) 2011-07-26 US claimed
US-20110035886-A1 Keratin Dyeing Compositions Comprising a Radical Scavenger and a Chelant and Use Thereof NOXELL CORPORATION 2011-02-17 US claimed
WO-2010123866-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND A CHELANT AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2010-10-28 WO claimed
EP-2421613-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND A CHELANT AND USE THEREOF The Procter & Gamble Company (US) 2012-02-29 EP disclosed
US-7985266-B2 Keratin dyeing compositions comprising a radical scavenger and a chelant and use thereof THE PROCTER & GAMBLE COMPANY (US) 2011-07-26 US disclosed
US-20110035886-A1 Keratin Dyeing Compositions Comprising a Radical Scavenger and a Chelant and Use Thereof NOXELL CORPORATION 2011-02-17 US disclosed
WO-2010123866-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND A CHELANT AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2010-10-28 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-20110035886-A1 Keratin Dyeing Compositions Comprising a Radical Scavenger and a Chelant and Use Thereof KRT18, LPO, KRTCAP2 L3MBTL1 4255/4885KDM4E 509/4885ALDH1A1 354/4885

“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.