SCHEMBL4913183

SCHEMBL4913183

Nc1nc(O)cn1OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 7/20 0.38
IDO1 P14902 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
MAOB P27338 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ADORA2A P29274 1/20 0.37
AGXT P21549 1/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
CYP1A2 P05177 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTGS2 P35354 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HIF1A Q16665 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 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
SCHEMBL4911034 0.83 DHFR (0.43) DHFRIDO1KDM4EMAPTMAOB
SCHEMBL4914488 0.73 IDO1 (0.39) DHFRIDO1KDM4EMAPTMAOB
SCHEMBL27693302 0.71 HDAC8 (0.41) KDM4ESMN1; SMN2ADORA2ATSHRHDAC6
SCHEMBL4914000 0.70 IDO1 (0.39) DHFRIDO1KDM4EMAPTMAOB
SCHEMBL4916083 0.68 ADORA2A (0.40) DHFRIDO1KDM4EMAPTMAOB
SCHEMBL4911690 0.67 LMNA (0.42) IDO1KDM4EMAPTMAOBSMN1; SMN2
SCHEMBL4912600 0.67 IDO1 (0.39) DHFRIDO1MAPTMAOBSMN1; SMN2
SCHEMBL4906140 0.66 IDO1 (0.46) DHFRIDO1MAPTMAOBSMN1; SMN2
SCHEMBL4951821 0.66 ROCK1 (0.36) DHFRIDO1KDM4EMAPTMAOB
SCHEMBL4912652 0.66 IDO1 (0.42) DHFRIDO1KDM4EMAPTMAOB

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 8 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
CN-101010062-A Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE (US) 2007-08-01 CN 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 164/4885IDO1 1934/4885KDM4E 329/4885
US-20080092306-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, KDM5A, NOX5 DHFR 164/4885IDO1 1934/4885KDM4E 329/4885

“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.