SCHEMBL5157096

SCHEMBL5157096

OCC(O)CNc1ccns1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.37
CDK1 P06493 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
IDH2 P48735 3/20 0.33
EGFR P00533 3/20 0.32
PRKDC P78527 1/20 0.32
CYP1A2 P05177 1/20 0.31
GLA P06280 1/20 0.30
IRAK1 P51617 1/20 0.30
IRAK4 Q9NWZ3 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
SCHEMBL5155018 0.68 CA2 (0.33) CHEK1CDK1KDM4EALDH1A1IDH2
SCHEMBL5153943 0.68 GLA (0.33) KDM4EALDH1A1IDH2EGFRGLA
SCHEMBL7153022 0.67 GLA (0.42) CHEK1CDK1KDM4EALDH1A1IDH2
SCHEMBL11617570 0.67 PTGS2 (0.41) CHEK1KDM4E
SCHEMBL6646838 0.66 ALDH1A1 (0.48) CHEK1CDK1ALDH1A1IDH2GLA
SCHEMBL5154150 0.66 GLA (0.34) CHEK1CDK1KDM4EALDH1A1GLA
SCHEMBL5174318 0.66 IDH2 (0.37) CHEK1CDK1KDM4EALDH1A1IDH2
SCHEMBL27773234 0.64 CYP2D6 (0.63) KDM4EALDH1A1PRKDCCYP1A2
SCHEMBL5941076 0.64
SCHEMBL1692066 0.63 IDH2 (0.50) ALDH1A1IDH2PRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US claimed
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 CHEK1 1300/4885CDK1 1402/4885KDM4E 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.