SCHEMBL20598570

SCHEMBL20598570

O=c1ccccn1NCCO

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.34
PSMB1 P20618 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TOP2B Q02880 1/20 0.33
POLB P06746 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 3/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 2/20 0.31
PSMB5 P28074 1/20 0.31
HTT P42858 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
SCHEMBL27088868 0.69 PSMB1 (0.47) PSMB1L3MBTL1TOP2BPOLBNPSR1
SCHEMBL31119353 0.69 PSMB1 (0.31) PSMB1POLBNPSR1TSHRPSMB5
SCHEMBL16654263 0.69
Hydrochloric Acid SCHEMBL29142213 0.68 PSMB1 (0.46) PSMB1L3MBTL1TOP2BPOLBNPSR1
SCHEMBL8349900 0.68 TSHR (0.48) MAPK1TSHRALDH1A1HTT
SCHEMBL8770339 0.67 L3MBTL1 (0.40) L3MBTL1KDM4ETSHRALDH1A1LMNA
SCHEMBL11408828 0.67 NTRK1 (0.52) CDC25AL3MBTL1TOP2BNPSR1KDM4E
SCHEMBL3530061 0.65 CYP1A2 (0.45) NPSR1TSHRALDH1A1GAALMNA
SCHEMBL1724271 0.65 PSMB1 (0.50) PSMB1L3MBTL1POLBNPSR1TSHR
SCHEMBL22836716 0.65 PSMB1 (0.38) PSMB1POLBNPSR1KDM4ETSHR

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-11529299-B2 Hair care compositions comprising a 2-pyridinol-n-oxide material and an iron chelator THE PROCTER & GAMBLE COMPANY (US) 2022-12-20 US disclosed
EP-3644951-A1 HAIR CARE COMPOSITIONS COMPRISING A 2-PYRIDINOL-N-OXIDE MATERIAL AND AN IRON CHELATOR The Procter and Gamble Company (US) 2020-05-06 EP disclosed
WO-2019006233-A1 HAIR CARE COMPOSITIONS COMPRISING A 2-PYRIDINOL-N-OXIDE MATERIAL AND AN IRON CHELATOR THE PROCTER & GAMBLE COMPANY (US) 2019-01-03 WO disclosed
US-20190000735-A1 HAIR CARE COMPOSITIONS COMPRISING A 2-PYRIDINOL-N-OXIDE MATERIAL AND AN IRON CHELATOR THE PROCTER & GAMBLE COMPANY 2019-01-03 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 (2 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-11529299-B2 Hair care compositions comprising a 2-pyridinol-n-oxide material and an iron chelator PLOD1, DPM1, PNPO CDC25A 523/4885PSMB1 196/4885L3MBTL1 3840/4885
US-20190000735-A1 HAIR CARE COMPOSITIONS COMPRISING A 2-PYRIDINOL-N-OXIDE MATERIAL AND AN IRON CHELATOR PLOD1, DPM1, PNPO CDC25A 523/4885PSMB1 196/4885L3MBTL1 3840/4885

“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.