SCHEMBL5894802

SCHEMBL5894802

Nc1ccc(NCCO)c2nc[n+]([O-])cc12

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL5894543 0.89 MAPT (0.36) MAPTTSHRTDP1PKMKMT2A
SCHEMBL5894602 0.83 LMNA (0.36) MAPTKMT2A
SCHEMBL5894744 0.79
SCHEMBL5894750 0.76 KMT2A (0.36) MAPTTSHRTDP1PKMKMT2A
SCHEMBL5894652 0.76 KMT2A (0.36) MAPTTSHRTDP1PKMKMT2A
SCHEMBL5894297 0.76 MEN1 (0.34) MAPTKMT2A
SCHEMBL5894740 0.75 MAPT (0.38) MAPTTSHRTDP1PKMKMT2A
SCHEMBL5894255 0.74 PKM (0.33) TSHRTDP1PKMKMT2A
SCHEMBL5894789 0.74 NSD2 (0.34)
SCHEMBL5894041 0.74 PKM (0.36) MAPTTSHRTDP1PKMKMT2A

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 MAPT 1322/4885TSHR 4850/4885TDP1 2581/4885

“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.