SCHEMBL4911096

SCHEMBL4911096

Nc1cn(OCc2ccccc2)nc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 8/20 0.40
LTA4H P09960 1/20 0.40
MAPK14 Q16539 1/20 0.40
IDO1 P14902 1/20 0.39
MAPT P10636 2/20 0.38
MAOB P27338 2/20 0.38
ADORA2A P29274 2/20 0.38
KDM4E B2RXH2 1/20 0.38
AGXT P21549 1/20 0.38
TSHR P16473 1/20 0.38
GAA P10253 1/20 0.37
MAOA P21397 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ADORA1 P30542 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
CDK1 P06493 1/20 0.35
CCNB1 P14635 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
SCHEMBL4916083 0.83 ADORA2A (0.40) DHFRLTA4HMAPK14IDO1MAPT
SCHEMBL4913899 0.73 NPC1 (0.33) LTA4HMAPTMAOBADORA2AKDM4E
SCHEMBL4906140 0.72 IDO1 (0.46) DHFRLTA4HMAPK14IDO1MAPT
SCHEMBL8756843 0.69 ADORA2A (0.53) ADORA2AKDM4EGAASMN1; SMN2L3MBTL1
SCHEMBL27511637 0.69 GRM5 (0.43) DHFRIDO1L3MBTL1ALDH1A1
SCHEMBL29946018 0.67 TSHR (0.39) DHFRMAPK14IDO1MAOBAGXT
Hydrochloric Acid SCHEMBL9325243 0.67 ADORA2A (0.50) ADORA2AKDM4ETSHRGAASMN1; SMN2
SCHEMBL4911548 0.66 IDO1 (0.48) DHFRLTA4HMAPK14IDO1MAPT
SCHEMBL99339 0.66 TSHR (0.41) DHFRLTA4HMAPK14IDO1AGXT
SCHEMBL25418589 0.66 TSHR (0.38) DHFRIDO1AGXTTSHRSMN1; SMN2

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 164/4885LTA4H 1217/4885MAPK14 1139/4885
US-20080092306-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, KDM5A, NOX5 DHFR 164/4885LTA4H 1217/4885MAPK14 1139/4885

“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.