SCHEMBL5894255

SCHEMBL5894255

Nc1ccc(NCCO)c2c1c[n+]([O-])c[n+]2[O-]

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.32
PRSS1 P07477 4/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL5894481 0.89 KMT2A (0.35) PKMKMT2APRSS1TSHRTDP1
SCHEMBL5894205 0.83 KDM4E (0.37) ALDH1A1
SCHEMBL5894168 0.80 MAPT (0.36) PKMKMT2ATSHRTDP1ALDH1A1
SCHEMBL5894457 0.78 PRKCI (0.33)
SCHEMBL5894750 0.77 KMT2A (0.36) PKMKMT2ATSHRTDP1ALDH1A1
SCHEMBL5894652 0.77 KMT2A (0.36) PKMKMT2ATSHRTDP1ALDH1A1
SCHEMBL5894306 0.77 TSHR (0.33) PKMKMT2ATSHRTDP1
SCHEMBL5894694 0.76 KMT2A (0.39) PKMKMT2APRSS1TSHRTDP1
SCHEMBL5894041 0.75 PKM (0.36) PKMKMT2APRSS1TSHRTDP1
SCHEMBL5894802 0.74 MAPT (0.41) PKMKMT2ATSHRTDP1

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 PKM 1496/4885KMT2A 810/4885PRSS1 2963/4885

“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.