SCHEMBL5894499

SCHEMBL5894499

Nc1ccc(O)c2ncc[n+]([O-])c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.50
IDO1 P14902 3/20 0.50
HSP90AB1 P08238 2/20 0.50
PSMB5 P28074 1/20 0.50
KDM4E B2RXH2 11/20 0.38
L3MBTL1 Q9Y468 7/20 0.36
FTO Q9C0B1 2/20 0.36
KDM4A O75164 2/20 0.36
EGLN1 Q9GZT9 2/20 0.36
KDM6B O15054 1/20 0.36
KDM6A O15550 1/20 0.36
TET3 O43151 1/20 0.36
KDM4B O94953 1/20 0.36
KDM5C P41229 1/20 0.36
KDM4D Q6B0I6 1/20 0.36
TET2 Q6N021 1/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
TET1 Q8NFU7 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36

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
SCHEMBL5894224 0.86 HSP90AA1 (0.46) HSP90AA1IDO1HSP90AB1PSMB5KDM4E
SCHEMBL5894290 0.85 MEN1 (0.38) HSP90AA1IDO1HSP90AB1PSMB5MAPT
SCHEMBL5894732 0.76 PRKCI (0.32)
SCHEMBL5894608 0.74 NSD2 (0.36)
SCHEMBL5894271 0.74 IDO1 (0.40) HSP90AA1IDO1HSP90AB1PSMB5KDM4E
SCHEMBL5894734 0.73 MAPT (0.44) IDO1MAPTALDH1A1TDP1NPSR1
SCHEMBL5894626 0.73 IDO1 (0.50) HSP90AA1IDO1HSP90AB1PSMB5KDM4E
SCHEMBL5894709 0.72 IDO1 (0.40) IDO1KDM4ELMNAHTTMAPT
SCHEMBL5894680 0.72 MAPT (0.46) KDM4EL3MBTL1LMNAHTTMAPT
SCHEMBL5894855 0.69 MEN1 (0.32) MAPTALDH1A1MEN1KMT2A

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 HSP90AA1 1793/4885IDO1 1240/4885HSP90AB1 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.