SCHEMBL458848

SCHEMBL458848

Nc1ccc(NCCC(CO)NCCO)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.37
FCGR3B O75015 1/20 0.32
FCGR1A P12314 1/20 0.32
FCGR2A P12318 1/20 0.32
CNR1 P21554 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
PRSS1 P07477 7/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
F2 P00734 2/20 0.30
PRSS2 P07478 2/20 0.30
PRSS3 P35030 2/20 0.30
TMPRSS6 Q8IU80 2/20 0.30
ST14 Q9Y5Y6 2/20 0.30
FYN P06241 1/20 0.30

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
SCHEMBL3857749 0.89 PRSS1 (0.38) APPFCGR3BFCGR1AFCGR2ACNR1
SCHEMBL33766 0.78 APP (0.48) APPFCGR3BFCGR1AFCGR2AMAPT
SCHEMBL14594036 0.77 APP (0.39) APPMAPTRAB9AMAOAMAOB
Hydrochloric Acid SCHEMBL8420321 0.77 APP (0.47) APPFCGR3BFCGR1AFCGR2AMAPT
Hydrochloric Acid SCHEMBL21056194 0.77 APP (0.47) APPFCGR3BFCGR1AFCGR2AMAPT
Ethane SCHEMBL27531493 0.75 APP (0.46) APPFCGR3BFCGR1AFCGR2AMAPT
SCHEMBL29221782 0.73 MAPT (0.50) APPFCGR3BFCGR1AFCGR2AMAPT
SCHEMBL5155265 0.73 APP (0.44) APPMAPTRAB9AMAOAMAOB
SCHEMBL5393286 0.73 APP (0.44) APPMAPTRAB9AMAOAMAOB
SCHEMBL20473718 0.73 ADRB2 (0.37) APPFCGR3BFCGR1AFCGR2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013069166-A1 COSMETIC COMPOSITION FOR KERATIN FIBERS L'OREAL (FR) 2013-05-16 WO disclosed
CN-102971290-A Cationic 6-aminoindolines, dyeing compositions containing them, processes and uses thereof OREAL 2013-03-13 CN disclosed
EP-2464424-A1 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND AN INDOLE COUPLER L'Oréal (FR) 2012-06-20 EP disclosed
WO-2012032673-A1 COSMETIC COMPOSITION FOR KERATIN FIBERS L'OREAL (FR) 2012-03-15 WO disclosed
WO-2011138838-A1 READY-TO-USE COSMETIC COMPOSITION FOR OXIDATION DYEING KERATIN FIBERS L'OREAL (FR) 2011-11-10 WO disclosed
WO-2011018483-A1 DYE COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND AN INDOLE COUPLER L'OREAL (FR) 2011-02-17 WO disclosed
WO-2010142776-A1 N-OXIDIZED AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF THESE DYES OBTAINED FROM SECONDARY, N-ALKYLAMINATED PARA-PHENYLENEDIAMINES, METHOD OF HAIR DYEING USING THESE DYES L'OREAL (FR) 2010-12-16 WO disclosed
WO-2010142777-A1 AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF THESE DYES OBTAINED FROM SECONDARY, N-ALKYLAMINATED PARA-PHENYLENEDIAMINES, METHOD OF HAIR DYEING USING THESE DYES L'OREAL (FR) 2010-12-16 WO disclosed
WO-2010142777-A1 AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF THESE DYES OBTAINED FROM SECONDARY, N-ALKYLAMINATED PARA-PHENYLENEDIAMINES, METHOD OF HAIR DYEING USING THESE DYES L'OREAL (FR) 2010-12-16 WO disclosed
US-7591860-B2 N-alkylpolyhydroxylated secondary para-phenylenediamines, dye compositions comprising them, processes, and uses thereof L'OREAL, S.A. (FR) 2009-09-22 US disclosed
US-20060026777-A1 N-alkylpolyhydroxylated secondary para-phenylenediamines, dye compositions comprising them, processes, and uses thereof L'OREAL S.A. (FR) 2006-02-09 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 (1 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-20060026777-A1 N-alkylpolyhydroxylated secondary para-phenylenediamines, dye compositions comprising them, processes, and uses thereof KRT18, CDC73, DSP APP 676/4885FCGR3B 4607/4885FCGR1A 4628/4885

“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.