SCHEMBL5154565

SCHEMBL5154565

Nc1ccc(NCCO)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 4/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 4/20 0.33
POLB P06746 3/20 0.33
GAA P10253 2/20 0.33
BRD4 O60885 1/20 0.33
CDC25A P30304 1/20 0.33
CHEK1 O14757 1/20 0.32
CDK1 P06493 1/20 0.32
PKM P14618 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
MITF O75030 1/20 0.32
LMNA P02545 1/20 0.32
TTR P02766 1/20 0.32
GLA P06280 1/20 0.32
RAD52 P43351 1/20 0.32
RAB9A P51151 1/20 0.32
RECQL P46063 1/20 0.31

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
SCHEMBL5494433 0.73 CHEK1 (0.37) KDM4EALDH1A1CHEK1CDK1GLA
SCHEMBL5156890 0.72 CYP2D6 (0.39) CYP2D6CYP2C19KDM4EMAPK1ALDH1A1
SCHEMBL5040623 0.71 GPR84 (0.39) CYP2D6CYP2C19MAPK1ALDH1A1POLB
SCHEMBL6028664 0.70 CYP2D6 (0.37) CYP2D6CYP2C19KDM4EMAPK1ALDH1A1
SCHEMBL4430325 0.70 CYP2D6 (0.37) CYP2D6CYP2C19KDM4EMAPK1ALDH1A1
SCHEMBL4429358 0.70 MAP2K7 (0.39) CYP2D6CYP2C19KDM4EALDH1A1GAA
SCHEMBL5173646 0.68 POLB (0.40) CYP2D6CYP2C19KDM4EMAPK1ALDH1A1
SCHEMBL4429246 0.67 EHMT2 (0.39) CYP2D6CYP2C19MAPK1ALDH1A1POLB
SCHEMBL27667563 0.67 MPO (0.35)
SCHEMBL5382994 0.64 POLB (0.44) KDM4EMAPK1ALDH1A1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US claimed
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US disclosed
EP-1737417-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-01-03 EP disclosed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US disclosed
WO-2005074875-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-18 WO 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-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, CYB5R3 CYP2D6 1035/4885CYP2C19 2403/4885KDM4E 756/4885

“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.