SCHEMBL4912652

SCHEMBL4912652

Nc1ccn(OCc2ccccc2)c1N

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
AGXT P21549 1/20 0.41
TSHR P16473 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAOB P27338 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MAOA P21397 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DHFR P00374 6/20 0.39
ALDH1A1 P00352 2/20 0.39
ATP4A P20648 2/20 0.36
ATP4B P51164 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL4914000 0.82 IDO1 (0.39) IDO1AGXTTSHRSMN1; SMN2MAOB
SCHEMBL3110227 0.77 ALDH1A1 (0.43) IDO1AGXTTSHRSMN1; SMN2MAOB
Bromide SCHEMBL3107381 0.76 ALDH1A1 (0.42) IDO1AGXTTSHRSMN1; SMN2DHFR
SCHEMBL4952930 0.75 ROCK1 (0.39) IDO1AGXTTSHRSMN1; SMN2MAOB
SCHEMBL4951861 0.75 ROCK1 (0.39) IDO1AGXTTSHRSMN1; SMN2MAOB
SCHEMBL4955620 0.75 IDO1 (0.36) IDO1AGXTTSHRSMN1; SMN2MAOB
Bromide SCHEMBL3107377 0.75 ALDH1A1 (0.41) IDO1AGXTTSHRSMN1; SMN2DHFR
SCHEMBL22925525 0.73 SMN1; SMN2 (0.49) IDO1AGXTTSHRSMN1; SMN2MAOB
SCHEMBL4914160 0.72 ALDH1A1 (0.33) TSHRMAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL4949458 0.72 IDO1 (0.39) IDO1AGXTTSHRSMN1; SMN2MAPT

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 IDO1 1934/4885AGXT 2697/4885TSHR 4834/4885
US-20080092306-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, KDM5A, NOX5 IDO1 1934/4885AGXT 2697/4885TSHR 4834/4885

“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.