SCHEMBL4911034

SCHEMBL4911034

Nc1cn(OCc2ccccc2)c(N)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHFR P00374 8/20 0.43
ALDH1A1 P00352 1/20 0.40
IDO1 P14902 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
AGXT P21549 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 2/20 0.37
MAOB P27338 2/20 0.37
GAA P10253 1/20 0.37
MAOA P21397 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LTA4H P09960 1/20 0.37
MAPK14 Q16539 1/20 0.37
KDM4E B2RXH2 1/20 0.35
ADORA2A P29274 1/20 0.35
MPO P05164 1/20 0.35

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
SCHEMBL4913183 0.83 DHFR (0.38) DHFRIDO1SMN1; SMN2AGXTTSHR
SCHEMBL4912485 0.69 MAOB (0.41) DHFRALDH1A1IDO1SMN1; SMN2AGXT
SCHEMBL4914488 0.69 IDO1 (0.39) DHFRALDH1A1IDO1SMN1; SMN2AGXT
SCHEMBL4912652 0.68 IDO1 (0.42) DHFRALDH1A1IDO1SMN1; SMN2AGXT
SCHEMBL4911548 0.66 IDO1 (0.48) DHFRALDH1A1IDO1SMN1; SMN2AGXT
SCHEMBL4955620 0.66 IDO1 (0.36) DHFRALDH1A1IDO1SMN1; SMN2AGXT
SCHEMBL4952930 0.66 ROCK1 (0.39) DHFRALDH1A1IDO1SMN1; SMN2AGXT
SCHEMBL4913854 0.66 MAOB (0.41) DHFRALDH1A1IDO1SMN1; SMN2AGXT
SCHEMBL4914000 0.66 IDO1 (0.39) DHFRALDH1A1IDO1SMN1; SMN2AGXT
SCHEMBL4911096 0.66 DHFR (0.40) DHFRALDH1A1IDO1SMN1; SMN2AGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7399317-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-07-15 US claimed
US-20070050922-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY 2007-03-08 US claimed
US-7399317-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-07-15 US disclosed
US-20080092306-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-04-24 US disclosed
EP-1781241-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-05-09 EP disclosed
US-20070050922-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY 2007-03-08 US disclosed
WO-2006026488-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-03-09 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 (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-20070050922-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KDM5A, NOX5 DHFR 164/4885ALDH1A1 420/4885IDO1 1934/4885
US-20080092306-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, KDM5A, NOX5 DHFR 164/4885ALDH1A1 420/4885IDO1 1934/4885

“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.