SCHEMBL5894041

SCHEMBL5894041

Nc1ccc(NCCO)c2c[n+]([O-])[n+]([O-])cc12

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.35
TSHR P16473 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
PRSS1 P07477 4/20 0.32
IDO1 P14902 2/20 0.32
RAB9A P51151 1/20 0.31
RECQL P46063 1/20 0.31
KDM4E B2RXH2 2/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP2C19 P33261 1/20 0.31
GLA P06280 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
SCHEMBL5894750 0.83 KMT2A (0.36) PKMKMT2ATSHRTDP1ALDH1A1
SCHEMBL5894652 0.83 KMT2A (0.36) PKMKMT2ATSHRTDP1ALDH1A1
SCHEMBL5894239 0.81 PKM (0.33) PKMKMT2ATSHRTDP1ALDH1A1
SCHEMBL5894509 0.81 PKM (0.33) PKMKMT2ATSHRTDP1ALDH1A1
SCHEMBL5894279 0.80 LMNA (0.41) TSHRALDH1A1MAPTIDO1RECQL
SCHEMBL5894466 0.76 KMT2A (0.35) PKMKMT2ATSHRTDP1ALDH1A1
SCHEMBL5894815 0.76 KMT2A (0.33) PKMKMT2ATSHRTDP1ALDH1A1
SCHEMBL5894255 0.75 PKM (0.33) PKMKMT2ATSHRTDP1ALDH1A1
SCHEMBL5894481 0.75 KMT2A (0.35) PKMKMT2ATSHRTDP1ALDH1A1
SCHEMBL5894515 0.74 ALDH1A1 (0.36) KMT2ATSHRTDP1ALDH1A1MAPT

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 810/4885TSHR 4850/4885

“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.