SCHEMBL5894641

SCHEMBL5894641

Nc1ccc(O)c2cc[n+]([O-])cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.50
EP300 Q09472 2/20 0.50
KAT2B Q92831 2/20 0.50
KAT8 Q9H7Z6 2/20 0.50
HDAC3 O15379 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
PSMB5 P28074 1/20 0.34
GAA P10253 2/20 0.33
MAPT P10636 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
HSD17B10 Q99714 2/20 0.32
LDHA P00338 1/20 0.32
ALDH1A1 P00352 1/20 0.32
THRB P10828 1/20 0.32
CSNK2A2 P19784 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
SCHEMBL5894843 0.92 IDO1 (0.50) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL5894197 0.86 ALDH1A1 (0.36) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL5894293 0.78 IDO1 (0.50) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL5894601 0.74 KEAP1 (0.36) IDO1
SCHEMBL5894652 0.71 KMT2A (0.36) IDO1MAPTALDH1A1
SCHEMBL5894349 0.71 NSD2 (0.33)
SCHEMBL5894257 0.70 EP300 (0.44) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL5894621 0.70 EP300 (0.38) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL5894364 0.70 KEAP1 (0.36) IDO1
SCHEMBL5894599 0.70 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 1240/4885EP300 2487/4885KAT2B 299/4885

“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.