SCHEMBL5894599

SCHEMBL5894599

Nc1ccc(O)c2c[n+]([O-])c[n+]([O-])c12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 2/20 0.38
KAT2B Q92831 2/20 0.38
KAT8 Q9H7Z6 2/20 0.38
HDAC3 O15379 1/20 0.38
IDO1 P14902 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
GAA P10253 2/20 0.32
MAPT P10636 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
THRB P10828 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
SCHEMBL5894621 0.86 EP300 (0.38) EP300KAT2BKAT8HDAC3IDO1
SCHEMBL5894626 0.74 IDO1 (0.50) EP300KAT2BKAT8HDAC3IDO1
SCHEMBL5894561 0.72 NSD2 (0.34) ALDH1A1
SCHEMBL5894341 0.71 RAB9A (0.40) GAAMAPTALDH1A1HSD17B10THRB
SCHEMBL5894423 0.71 KDM4E (0.40) IDO1GAAMAPTALDH1A1THRB
SCHEMBL5894843 0.70 IDO1 (0.50) EP300KAT2BKAT8HDAC3IDO1
SCHEMBL5894641 0.70 IDO1 (0.50) EP300KAT2BKAT8HDAC3IDO1
SCHEMBL5894681 0.70 EP300 (0.47) EP300KAT2BKAT8HDAC3IDO1
SCHEMBL5894556 0.69
SCHEMBL5894463 0.69

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.