SCHEMBL694338

SCHEMBL694338

O=c1cc(-c2ccc(S(=O)(=O)O)cc2)[nH][nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.56
GAA P10253 8/20 0.56
KDM4E B2RXH2 6/20 0.56
KMT2A Q03164 4/20 0.56
THRB P10828 4/20 0.56
MEN1 O00255 3/20 0.56
TSHR P16473 3/20 0.56
ALDH1A1 P00352 2/20 0.56
TDP1 Q9NUW8 5/20 0.55
PKM P14618 2/20 0.51
USP2 O75604 1/20 0.49
ALOX12 P18054 1/20 0.49
HTT P42858 1/20 0.49
POLB P06746 1/20 0.47
HSP90AA1 P07900 1/20 0.46
LMNA P02545 1/20 0.42
NT5E P21589 1/20 0.41
XDH P47989 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL23486316 0.72 MAPT (0.64) MAPTGAAKDM4EKMT2ATHRB
SCHEMBL525918 0.72 LMNA (0.65) KDM4ETSHRALDH1A1TDP1HTT
SCHEMBL447639 0.72 LMNA (0.65) KDM4ETSHRALDH1A1TDP1HTT
SCHEMBL3171676 0.72 LMNA (0.65) KDM4ETSHRALDH1A1TDP1HTT
SCHEMBL29990536 0.72 LMNA (0.65) KDM4ETSHRALDH1A1TDP1HTT
SCHEMBL700288 0.72 MAPT (0.62) MAPTGAAKDM4EKMT2ATHRB
SCHEMBL14514123 0.71 LMNA (0.56) KDM4ETSHRALDH1A1TDP1POLB
SCHEMBL16600651 0.70 MAPT (0.68) MAPTGAAKDM4EKMT2ATHRB
SCHEMBL9302694 0.70 LMNA (0.62) KDM4ETSHRALDH1A1TDP1HTT
Ammonia Solution, Strong SCHEMBL10589724 0.70 LMNA (0.62) KDM4ETSHRALDH1A1TDP1HTT

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 MAPT 547/4885GAA 1970/4885KDM4E 509/4885

“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.