SCHEMBL5945003

SCHEMBL5945003

Nc1ncc(NCc2ccco2)c[n+]1[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
MAPK1 P28482 3/20 0.47
HPGD P15428 3/20 0.47
GAA P10253 2/20 0.47
HSD17B10 Q99714 2/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
SHMT2 P34897 1/20 0.44
POLB P06746 2/20 0.43
KCNH3 Q9ULD8 3/20 0.43
SMN1; SMN2 Q16637 6/20 0.40
MAPT P10636 4/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 2/20 0.40
BLM P54132 2/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 3/20 0.39

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
SCHEMBL5944978 0.82 ALDH1A1 (0.51) KDM4EALDH1A1LMNAMAPK1HPGD
SCHEMBL5944805 0.80 KDM4E (0.52) KDM4EALDH1A1LMNAMAPK1HPGD
SCHEMBL5944788 0.78 MAPK1 (0.44) KDM4EALDH1A1LMNAMAPK1HPGD
SCHEMBL5944591 0.77 POLB (0.42) KDM4EALDH1A1LMNAMAPK1HPGD
SCHEMBL5944684 0.77 POLB (0.42) KDM4EALDH1A1LMNAMAPK1HPGD
SCHEMBL31144992 0.72 KCNH3 (0.50) KDM4EALDH1A1LMNAMAPK1HPGD
SCHEMBL5944990 0.71 MAPK1 (0.43) KDM4EALDH1A1LMNAMAPK1HPGD
SCHEMBL5944627 0.71 ADRA2A (0.38) MAPT
SCHEMBL456092 0.71 GAA (0.58) KDM4EALDH1A1LMNAMAPK1HPGD
SCHEMBL5945061 0.70 MAPK1 (0.42) KDM4EALDH1A1LMNAMAPK1HPGD

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-20060156481-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-07-20 US claimed
US-20060156481-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-20060156481-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KRTCAP2, NOX5 KDM4E 1023/4885ALDH1A1 850/4885LMNA 479/4885

“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.