SCHEMBL5174541

SCHEMBL5174541

Cn1c(N)cc2c1cc(NCCO)n2OCCO

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL5174570 0.82 S100B (0.31)
SCHEMBL5184268 0.79
SCHEMBL5171148 0.76 HRH4 (0.36) ALDH1A1SMN1; SMN2HRH4KDM4EHSD17B10
SCHEMBL5171213 0.73
SCHEMBL5172374 0.72 MEN1 (0.33) ALDH1A1HRH4
SCHEMBL5172606 0.69 HRH4 (0.33) HRH4CYP2D6CYP2C19
SCHEMBL5172416 0.67 HRH4 (0.35) ALDH1A1SMN1; SMN2HRH4KDM4EHSD17B10
SCHEMBL5174664 0.65 KDM4E (0.36) ALDH1A1SMN1; SMN2HRH4KDM4EHSD17B10
SCHEMBL5172632 0.64
SCHEMBL5183339 0.64 HRH4 (0.35) HRH4KDM4EHSD17B10CYP2D6CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276089-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-10-02 US disclosed
EP-1781240-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-05-09 EP disclosed
WO-2006026487-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-03-09 WO disclosed
US-20060042025-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof NOXELL CORPORATION 2006-03-02 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-20060042025-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KDM5A, KDM5C ALDH1A1 514/4885SMN1; SMN2 4707/4885HRH4 936/4885

“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.