SCHEMBL2987208

SCHEMBL2987208

CC(C)(C)OC(=O)Nc1ccc(N)cc1CCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.38
KCNQ4 P56696 1/20 0.37
KCNQ5 Q9NR82 1/20 0.37
CYP17A1 P05093 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MAP4K4 O95819 1/20 0.36
CNR2 P34972 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
NR1H2 P55055 1/20 0.34
NQO2 P16083 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
CISD2 Q8N5K1 1/20 0.34
PIK3CD O00329 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
KDR P35968 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CG P48736 1/20 0.34

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
SCHEMBL4923072 0.84 AAK1 (0.45) AAK1KCNQ4KCNQ5MAPK1
SCHEMBL19935638 0.81 KCNQ4 (0.40) AAK1KCNQ4KCNQ5CYP17A1RXFP1
SCHEMBL13622510 0.81 AURKA (0.43) KCNQ4KCNQ5CYP17A1RXFP1
SCHEMBL1772002 0.80 LMNA (0.47) RXFP1CNR2NQO2BRD9
SCHEMBL15160030 0.80 GAA (0.52) AAK1KCNQ4KCNQ5CYP17A1RXFP1
SCHEMBL18940332 0.80 POLB (0.49) GAAMAPT
SCHEMBL13622752 0.79 CYP17A1 (0.40) KCNQ4KCNQ5CYP17A1MAP4K4
SCHEMBL1322145 0.79 MAPT (0.54) AAK1CYP17A1MAPTBRD9CISD2
SCHEMBL22535137 0.79 MEN1 (0.51) AAK1CYP17A1MAPT
SCHEMBL18708056 0.78 MAPKAPK2 (0.40) AAK1KCNQ4KCNQ5CYP17A1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE41549-E1 Dyes for keratin fibers, the dyes containing n-benzyl-p-phenylenediamine derivatives and novel n-benzyl-p-phenylenediamine derivatives WELLA AG (DE) 2010-08-24 US disclosed
CN-1205179-C (P-aminohydroxyphenyl) acrylamide derivatives and coloring agents containing the same P & G CLAROLL CORP (US) 2005-06-08 CN disclosed
US-6800097-B2 FOR DYEING KERATIN FIBERS; HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 2004-10-05 US disclosed
US-6780998-B2 DEVELOPER-COUPLER SUBSTANCE COMBINATION HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 2004-08-24 US disclosed
US-6699296-B2 Mixture containing phenylenediamine developer WELLA AKTIENGESELLSCHAFT (DE) 2004-03-02 US disclosed
US-6689174-B2 FOR OXIDATIVELY DYEING HUMAN HAIR WELLA AKTIENGESELLSCHAFT (DE) 2004-02-10 US disclosed
EP-1183227-B1 P-DIAMINOBENZENE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-02-04 EP disclosed
US-6685751-B2 SUCH AS 2-((2-AMINO-PHENYLAMINO)-METHYL)-1,4-DIAMINOBENZENE; HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 2004-02-03 US disclosed
CN-1437578-A (P-amino-hyaroxyphenyl)-acrylamide derivatives and dyes containing said compounds WELLA AG (DE) 2003-08-20 CN disclosed
US-20030145764-A1 P-diaminobenzene derivatives and dyes containing said compounds WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2003-08-07 US disclosed
US-6602302-B1 Mixtures of carbocyclic amines such as 2-((2-aminophenylamino) -methyl)-1,4-diaminobenzene, couplers and developers, having photostability, wash and colorfastness, used for dyeing human hair WELLA AG (DE) 2003-08-05 US disclosed
US-20030110578-A1 Substituted 1,4-diaminobenzene compounds and oxidation dye precursor compositions containing same WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2003-06-19 US disclosed
US-20030070241-A1 Substituted 2-aminoalkyl-1,4-Diaminobenzene compounds and oxidation dye precursor compositions containing same WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2003-04-17 US disclosed
EP-1108708-B1 1,4-Diaminobenzene derivatives and colouring agents containing these compounds WELLA AG (DE) 2003-01-08 EP disclosed
US-20020189033-A1 Substituted 2-aminoalkyl-1,4diaminobenzene compounds and oxidation dye precursor compositions containing same WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2002-12-19 US disclosed
US-20020166181-A1 N-benzyl-p-phenylenediamine-derivatives containing colouring agents for keratin fibres and novel n-benzyl-p-phenylenediamine-derivatives CHASSOT LAURENT (CH) 2002-11-14 US disclosed
US-6436152-B1 Substituted 2-aminoalky-1,4-diaminobenzene compounds and oxidation dye precursor compositions containing same WELLA AKTIENGESELLSCHAFT (DE) 2002-08-20 US disclosed
EP-1116711-A2 2-aminoalkyl-1,4-diaminobenzene derivatives and dye composition containing these compounds Wella Aktiengesellschaft (DE) 2001-07-18 EP disclosed
EP-1108708-A1 1,4-Diaminobenzene derivatives and colouring agents containing these compounds Wella Aktiengesellschaft (DE) 2001-06-20 EP 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 (4 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-20020189033-A1 Substituted 2-aminoalkyl-1,4diaminobenzene compounds and oxidation dye precursor compositions containing same DDT, CYP1B1, ALDH7A1 AAK1 2043/4885KCNQ4 1726/4885KCNQ5 1965/4885
US-20030070241-A1 Substituted 2-aminoalkyl-1,4-Diaminobenzene compounds and oxidation dye precursor compositions containing same DDT, ALDH7A1, DDC AAK1 1795/4885KCNQ4 2459/4885KCNQ5 2454/4885
US-20020166181-A1 N-benzyl-p-phenylenediamine-derivatives containing colouring agents for keratin fibres and novel n-benzyl-p-phenylenediamine-derivatives KRT18, KPNB1, VIM AAK1 1671/4885KCNQ4 417/4885KCNQ5 392/4885
US-20030110578-A1 Substituted 1,4-diaminobenzene compounds and oxidation dye precursor compositions containing same KRT18, AOC1, DAO AAK1 1600/4885KCNQ4 2197/4885KCNQ5 1873/4885

“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.