SCHEMBL5894652

SCHEMBL5894652

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

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
PKM P14618 1/20 0.34
IDO1 P14902 3/20 0.33
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 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
SCHEMBL5894750 0.94 KMT2A (0.36) KMT2APKMTSHRTDP1ALDH1A1
SCHEMBL5894041 0.83 PKM (0.36) KMT2APKMIDO1TSHRTDP1
SCHEMBL5894356 0.82 IDO1 (0.39) IDO1ALDH1A1MAPT
SCHEMBL5894601 0.78 KEAP1 (0.36) IDO1
SCHEMBL5894481 0.77 KMT2A (0.35) KMT2APKMTSHRTDP1ALDH1A1
SCHEMBL5894509 0.77 PKM (0.33) KMT2APKMTSHRTDP1ALDH1A1
SCHEMBL5894255 0.77 PKM (0.33) KMT2APKMTSHRTDP1ALDH1A1
SCHEMBL5894464 0.77 MAPT (0.36) KMT2APKMTSHRTDP1ALDH1A1
SCHEMBL5894543 0.76 MAPT (0.36) KMT2APKMTSHRTDP1MAPT
SCHEMBL5894802 0.76 MAPT (0.41) KMT2APKMTSHRTDP1MAPT

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 KMT2A 810/4885PKM 1496/4885IDO1 1240/4885

“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.