SCHEMBL5894598

SCHEMBL5894598

Nc1ccc(N2CCCC2)c2c[n+]([O-])[n+]([O-])cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.42
ALDH1A1 P00352 7/20 0.42
MAPT P10636 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
HTT P42858 3/20 0.42
LMNA P02545 3/20 0.42
S100B P04271 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAPK1 P28482 2/20 0.42
ALOX15 P16050 2/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
KEAP1 Q14145 1/20 0.42
THRB P10828 3/20 0.41
TDP2 O95551 1/20 0.41
CASP3 P42574 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL5894024 0.82 RAB9A (0.39) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL5894526 0.82 RAB9A (0.39) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL5894259 0.80 ALDH1A1 (0.40) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL5894574 0.80 ALDH1A1 (0.40) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL5894515 0.77 ALDH1A1 (0.36) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL5894731 0.74 ALDH1A1 (0.38) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL5894101 0.74 ALDH1A1 (0.38) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL10105292 0.74 KEAP1 (0.57) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL5894341 0.73 RAB9A (0.40) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL5894436 0.73 RAB9A (0.40) GAAALDH1A1MAPTMEN1KMT2A

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 GAA 3519/4885ALDH1A1 385/4885MAPT 1322/4885

“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.