SCHEMBL1076294

SCHEMBL1076294

COc1ccc(Cn2nc(S(C)(=O)=O)c(N)c2N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
ALOX15 P16050 1/20 0.44
TOP2A P11388 1/20 0.43
CMA1 P23946 1/20 0.42
NPBWR1 P48145 1/20 0.41
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
APLNR P35414 1/20 0.40
PDE8B O95263 1/20 0.40
POLB P06746 2/20 0.39
MAPT P10636 1/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL692418 0.79 CYP1A2 (0.52) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1074366 0.77 CYP1A2 (0.51) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL28038656 0.75 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL692740 0.74 PDE8B (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL16014815 0.71 NPBWR1 (0.45) TOP2ACMA1NPBWR1GSK3AGSK3B
Sulfuric Acid SCHEMBL2923461 0.70 NPBWR1 (0.50) L3MBTL1ALOX15TOP2ACMA1NPBWR1
SCHEMBL16014584 0.70 CMA1 (0.42) L3MBTL1ALOX15TOP2ACMA1NPBWR1
SCHEMBL20281262 0.70 GAA (0.53) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL16832321 0.70 GAA (0.69) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL2377998 0.69 APLNR (0.58) L3MBTL1CMA1KMT2AAPLNRPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103524420-A Keratin dyeing compounds, keratin dyeing compositions containing said compounds, and use thereof PROCTER & GAMBLE 2014-01-22 CN claimed
EP-2274286-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF The Procter & Gamble Company (US) 2011-01-19 EP claimed
US-7850742-B2 Keratin dyeing compounds, keratin dyeing compositions containing said compounds, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2010-12-14 US claimed
WO-2009140451-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2009-11-19 WO claimed
US-20090282622-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Said Compounds, and Use Thereof NOXELL CORPORATION 2009-11-19 US claimed
EP-3733827-A1 DELIVERY PARTICLES The Procter & Gamble Company (US) 2020-11-04 EP disclosed
EP-2563508-B1 DELIVERY PARTICLE PROCTER & GAMBLE (US) 2019-07-10 EP disclosed
US-20190142714-A1 DELIVERY PARTICLE PROCTER & GAMBLE (US) 2019-05-16 US disclosed
US-20180360706-A1 Delivery Particles PROCTER & GAMBLE (US) 2018-12-20 US disclosed
EP-2308564-B1 Thickened hair colourant and bleaching compositions NOXELL CORP (US) 2018-12-19 EP disclosed
US-9993793-B2 Delivery particles THE PROCTER & GAMBLE COMPANY (US) 2018-06-12 US disclosed
CN-102883803-B Delivery particles THE PROCTER & GAMBLE CO. (US) 2016-04-27 CN disclosed
EP-2298417-A1 Thickened hair colourant and bleaching compositions The Procter & Gamble Company (US) 2011-03-23 EP disclosed
US-20110035885-A1 Keratin Dyeing Compositions Comprising a Radical Scavenger and Use Thereof NOXELL CORPORATION 2011-02-17 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
EP-2274286-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF The Procter & Gamble Company (US) 2011-01-19 EP disclosed
US-7850742-B2 Keratin dyeing compounds, keratin dyeing compositions containing said compounds, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2010-12-14 US disclosed
WO-2010079468-A2 DELIVERY PARTICLE THE PROCTER & GAMBLE COMPANY (US) 2010-07-15 WO disclosed
WO-2009140451-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING SAID COMPOUNDS, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2009-11-19 WO disclosed
US-20090282622-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Said Compounds, and Use Thereof NOXELL CORPORATION 2009-11-19 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 (5 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-20180360706-A1 Delivery Particles LIPA, CHMP4B, ABCB4 CYP1A2 2540/4885CYP3A4 3096/4885CYP2D6 2430/4885
US-20110035885-A1 Keratin Dyeing Compositions Comprising a Radical Scavenger and Use Thereof KRT18, LPO, CYB5R3 CYP1A2 1677/4885CYP3A4 1690/4885CYP2D6 2147/4885
US-20110035886-A1 Keratin Dyeing Compositions Comprising a Radical Scavenger and a Chelant and Use Thereof KRT18, LPO, KRTCAP2 CYP1A2 2139/4885CYP3A4 1910/4885CYP2D6 2221/4885
US-20190142714-A1 DELIVERY PARTICLE LIPA, CHMP4B, SLC46A1 CYP1A2 2564/4885CYP3A4 3163/4885CYP2D6 2587/4885
US-20090282622-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Said Compounds, and Use Thereof KRT18, TUBB3, PPOX CYP1A2 446/4885CYP3A4 197/4885CYP2D6 810/4885

“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.