SCHEMBL5894792

SCHEMBL5894792

Nc1ccc(N2CCCC2)c2c1ncc[n+]2[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
MAPT P10636 8/20 0.46
GAA P10253 7/20 0.46
L3MBTL1 Q9Y468 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
THRB P10828 3/20 0.46
RECQL P46063 2/20 0.46
BLM P54132 2/20 0.46
TDP2 O95551 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.39
TNNI3 P19429 1/20 0.39
TNNT2 P45379 1/20 0.39
TNNC1 P63316 1/20 0.39
KDM4E B2RXH2 4/20 0.39
MAPK1 P28482 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
SCHEMBL5894680 0.89 MAPT (0.46) ALDH1A1MAPTGAAL3MBTL1MEN1
SCHEMBL5894449 0.79 ALDH1A1 (0.42) ALDH1A1MAPTGAAL3MBTL1MEN1
SCHEMBL5894290 0.78 MEN1 (0.38) ALDH1A1MAPTMEN1KMT2ATDP2
SCHEMBL5894787 0.75 KEAP1 (0.42) ALDH1A1MAPTGAAL3MBTL1MEN1
SCHEMBL5894692 0.75 KEAP1 (0.42) ALDH1A1MAPTGAAL3MBTL1MEN1
SCHEMBL5894224 0.72 HSP90AA1 (0.46) ALDH1A1MAPTGAAL3MBTL1MEN1
SCHEMBL18434742 0.72 MAPT (0.53) ALDH1A1MAPTGAAL3MBTL1MEN1
SCHEMBL5894430 0.71 ALDH1A1 (0.41) ALDH1A1MAPTGAAL3MBTL1MEN1
SCHEMBL5894562 0.71 ALDH1A1 (0.48) ALDH1A1MAPTGAAL3MBTL1MEN1
SCHEMBL5894855 0.69 MEN1 (0.32) ALDH1A1MAPTMEN1KMT2ATDP2

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

“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.