SCHEMBL5153571

SCHEMBL5153571

Cc1c(N)sc(NCCO)c1C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
IKBKB O14920 1/20 0.32
EGFR P00533 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
MELK Q14680 1/20 0.30

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
SCHEMBL5150987 0.89 SMN1; SMN2 (0.38)
SCHEMBL5156282 0.82 MEN1 (0.33) MEN1KMT2A
SCHEMBL5156936 0.69
SCHEMBL5157838 0.65 IKBKB (0.39) GAAMEN1MAPK1KMT2AIKBKB
SCHEMBL31650514 0.58 TSHR (0.46) GAAMEN1MAPK1KMT2A
SCHEMBL2574774 0.58 TSHR (0.46) GAAMEN1MAPK1KMT2A
SCHEMBL5156540 0.57 KDM4E (0.34) GAAMAPK1IKBKBMELK
SCHEMBL5174001 0.57 F2 (0.34)
SCHEMBL16366959 0.57 TP53 (0.47) GAAMEN1MAPK1KMT2A
SCHEMBL11046095 0.57 GAA (0.36) GAAMEN1MAPK1KMT2A

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-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US claimed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US claimed
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US disclosed
EP-1737417-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-01-03 EP disclosed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US disclosed
WO-2005074875-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-18 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-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, CYB5R3 GAA 3450/4885MEN1 4871/4885MAPK1 2646/4885

“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.