SCHEMBL6273902

SCHEMBL6273902

Nc1ccc(N)c(CNc2ccc(N(CCO)CCO)cc2)c1CCO

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
TSHR P16473 1/20 0.34
CNR2 P34972 1/20 0.33
BACE1 P56817 2/20 0.32
NOS1 P29475 1/20 0.32
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 2/20 0.31
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
RECQL P46063 1/20 0.31
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL6269734 0.88 MAPT (0.33) ALDH1A1TDP1TSHRKMT2AMEN1
SCHEMBL6738041 0.85 ALDH1A1 (0.31) ALDH1A1TDP1TSHR
SCHEMBL6738956 0.85 HDAC4 (0.35) ALDH1A1TDP1TSHRNOS1KMT2A
SCHEMBL6738089 0.84 NOS1 (0.46) ALDH1A1TDP1NOS1KMT2AMAPT
SCHEMBL6737913 0.83 NOS1 (0.31) ALDH1A1TDP1TSHRNOS1KMT2A
SCHEMBL6267201 0.82 MAOA (0.39) ALDH1A1TDP1KMT2AMEN1MAPT
SCHEMBL6274025 0.81 NOS1 (0.35) TDP1CNR2NOS1
SCHEMBL5272758 0.81 MAPT (0.33) ALDH1A1CNR2BACE1KMT2AMEN1
SCHEMBL6268444 0.79 ADRA2B (0.37) ALDH1A1TDP1TSHRCNR2BACE1
SCHEMBL6255470 0.79 CNR2 (0.38) ALDH1A1TDP1TSHRCNR2NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1116711-B1 2-aminoalkyl-1,4-diaminobenzene derivatives and dye composition containing these compounds WELLA AG (DE) 2005-12-14 EP 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-6685751-B2 SUCH AS 2-((2-AMINO-PHENYLAMINO)-METHYL)-1,4-DIAMINOBENZENE; HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 2004-02-03 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-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 (3 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 ALDH1A1 8/4885TDP1 1316/4885TSHR 4204/4885
US-20030070241-A1 Substituted 2-aminoalkyl-1,4-Diaminobenzene compounds and oxidation dye precursor compositions containing same DDT, ALDH7A1, DDC ALDH1A1 7/4885TDP1 779/4885TSHR 4363/4885
US-20030110578-A1 Substituted 1,4-diaminobenzene compounds and oxidation dye precursor compositions containing same KRT18, AOC1, DAO ALDH1A1 43/4885TDP1 964/4885TSHR 4650/4885

“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.