SCHEMBL4956071

SCHEMBL4956071

CC(C)Nn1ncc2c(O)ccc(N)c21

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 2/20 0.36
KAT2B Q92831 2/20 0.36
KAT8 Q9H7Z6 2/20 0.36
IDO1 P14902 6/20 0.33
HDAC3 O15379 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
PSMB5 P28074 1/20 0.32
HTR2A P28223 4/20 0.31
HTR2C P28335 4/20 0.31
HTR2B P41595 4/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
ALOX12 P18054 1/20 0.31
HTT P42858 1/20 0.31
HIF1A Q16665 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
SCHEMBL4951581 0.88 EP300 (0.36) EP300KAT2BKAT8IDO1HDAC3
SCHEMBL4954021 0.87 NPC1 (0.30) ALDH1A1
SCHEMBL4953241 0.84 EP300 (0.40) EP300KAT2BKAT8IDO1HDAC3
SCHEMBL4952909 0.79 EP300 (0.36) EP300KAT2BKAT8IDO1HDAC3
SCHEMBL4955139 0.75 EP300 (0.35) EP300KAT2BKAT8IDO1HDAC3
SCHEMBL4951537 0.73 EP300 (0.42) EP300KAT2BKAT8IDO1HDAC3
SCHEMBL4953809 0.73 EP300 (0.36) EP300KAT2BKAT8IDO1HDAC3
SCHEMBL4949138 0.72 IDO1 (0.40) EP300KAT2BKAT8IDO1HDAC3
SCHEMBL4953966 0.72 IDO1 (0.35) EP300KAT2BKAT8IDO1HDAC3
SCHEMBL4956844 0.72 ADRA2A (0.36) HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371264-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-05-13 US claimed
US-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-03-02 US claimed
US-7371264-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-05-13 US disclosed
US-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-03-02 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-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KDM5A, KDM5C EP300 2357/4885KAT2B 368/4885KAT8 334/4885

“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.