SCHEMBL5894487

SCHEMBL5894487

Nc1ccc(O)c2cc[n+]([O-])nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 2/20 0.39
KAT2B Q92831 2/20 0.39
KAT8 Q9H7Z6 2/20 0.39
IDO1 P14902 2/20 0.39
HDAC3 O15379 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
PSMB5 P28074 1/20 0.37
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 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
SCHEMBL5894426 0.85 IDO1 (0.49) EP300KAT2BKAT8IDO1HDAC3
SCHEMBL5894791 0.84 HSP90AA1 (0.33) IDO1HSP90AA1HSP90AB1PSMB5
SCHEMBL5894834 0.74 PRKCI (0.30) IDO1
SCHEMBL5894242 0.73 NSD2 (0.35)
SCHEMBL5894464 0.73 MAPT (0.36) ALDH1A1HPGDGAA
SCHEMBL5894859 0.70
SCHEMBL5894562 0.70 ALDH1A1 (0.48) ALDH1A1ALOX15MAPK1SMN1; SMN2HSD17B10
SCHEMBL5894809 0.70 IDO1 (0.39) IDO1ALDH1A1HPGDGAATHRB
SCHEMBL5894641 0.68 IDO1 (0.50) EP300KAT2BKAT8IDO1HDAC3
SCHEMBL5894843 0.68 IDO1 (0.50) EP300KAT2BKAT8IDO1HDAC3

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 EP300 2487/4885KAT2B 299/4885KAT8 325/4885

“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.