SCHEMBL5894094

SCHEMBL5894094

Nc1ccc(O)c2c[n+]([O-])cnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
PSMB5 P28074 1/20 0.39
EP300 Q09472 2/20 0.37
KAT2B Q92831 2/20 0.37
KAT8 Q9H7Z6 2/20 0.37
HDAC3 O15379 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
MAPT P10636 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
APAF1 O14727 1/20 0.31
TDP2 O95551 1/20 0.31
CASP3 P42574 1/20 0.31
KMT2A Q03164 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
GAA P10253 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
SCHEMBL5894414 0.86 HSP90AA1 (0.50) IDO1HSP90AA1HSP90AB1PSMB5EP300
SCHEMBL5894633 0.74 NSD2 (0.34)
SCHEMBL5894789 0.71 NSD2 (0.34)
SCHEMBL5894700 0.70
SCHEMBL5894641 0.69 IDO1 (0.50) IDO1HSP90AA1HSP90AB1PSMB5EP300
SCHEMBL5894843 0.69 IDO1 (0.50) IDO1HSP90AA1HSP90AB1PSMB5EP300
SCHEMBL5894744 0.69
SCHEMBL5894487 0.68 EP300 (0.39) IDO1HSP90AA1HSP90AB1PSMB5EP300
SCHEMBL1133269 0.67 HSP90AA1 (0.72) IDO1HSP90AA1HSP90AB1PSMB5EP300
SCHEMBL5894599 0.67 EP300 (0.38) IDO1EP300KAT2BKAT8HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060156485-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-07-20 US claimed
US-20060156485-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-07-20 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-20060156485-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, TUBB6, DNMT1 IDO1 1240/4885HSP90AA1 1793/4885HSP90AB1 1716/4885

“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.