SCHEMBL1076002

SCHEMBL1076002

Cn1nc(S(C)(=O)=O)c(N)c1N1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
PIK3CA P42336 4/20 0.34
PIK3CB P42338 3/20 0.34
PIK3CD O00329 2/20 0.34
MTOR P42345 2/20 0.34
PIK3CG P48736 2/20 0.34
PIK3C2B O00750 1/20 0.34
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
AR P10275 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL13457980 0.76 PIK3R1 (0.42) KDM4EGAAKMT2AMEN1PIK3CA
SCHEMBL1075093 0.68 GLP1R (0.33)
SCHEMBL2256173 0.66 HTT (0.44) KDM4EGAAKMT2ALMNAMEN1
SCHEMBL19719534 0.65 SMN1; SMN2 (0.44) KDM4EGAAKMT2ALMNAMEN1
SCHEMBL4472434 0.63 GAA (0.36) KDM4EGAAKMT2AMEN1PIK3CA
SCHEMBL13683097 0.62 SMN1; SMN2 (0.56) KDM4EGAAKMT2ALMNAMEN1
SCHEMBL4469941 0.62 HTT (0.47) KDM4EGAALMNAPIK3CAMTOR
SCHEMBL13627230 0.61 GAA (0.39) KDM4EGAAKMT2AMEN1PIK3CA
SCHEMBL9158913 0.60 KDM4E (0.82) KDM4EGAAKMT2AMEN1PIK3CA
SCHEMBL19719535 0.60 SMN1; SMN2 (0.40) KDM4EGAAKMT2AMEN1PIK3CA

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 10 patents. 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
CN-103524420-A Keratin dyeing compounds, keratin dyeing compositions containing said compounds, and use thereof PROCTER & GAMBLE 2014-01-22 CN 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-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 (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-20090282622-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Said Compounds, and Use Thereof KRT18, TUBB3, PPOX KDM4E 1326/4885GAA 3712/4885KMT2A 2526/4885

“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.