SCHEMBL6739385

SCHEMBL6739385

Nc1ccc(N)c(CNc2ccc(OCCO)c(N(CCO)CCO)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.36
IDH1 O75874 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
CASP1 P29466 2/20 0.32
KMT2A Q03164 2/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
CASP7 P55210 1/20 0.32
ATM Q13315 1/20 0.32
KLK1 P06870 1/20 0.32
KLK5 Q9Y337 1/20 0.32
UTS2R Q9UKP6 3/20 0.32
KIT P10721 1/20 0.31
FLT3 P36888 1/20 0.31

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
SCHEMBL6738073 0.86 MAPT (0.42) NTRK1IDH1KDM4EMEN1ALDH1A1
SCHEMBL6269606 0.84 IDH1 (0.38) NTRK1IDH1KDM4EMEN1ALDH1A1
SCHEMBL6738414 0.82 ADRA2B (0.33)
SCHEMBL6734735 0.82 MAPT (0.41) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL6739710 0.80 CYP3A4 (0.34) KDM4EMEN1ALDH1A1MAPTCASP1
SCHEMBL6738481 0.80 MAPT (0.36) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL6740519 0.80 ADRA2B (0.31)
SCHEMBL6270630 0.78 MAPT (0.38) NTRK1KDM4EMEN1ALDH1A1GAA
SCHEMBL6268444 0.78 ADRA2B (0.37) KDM4EMEN1ALDH1A1GAAMAPT
SCHEMBL6273720 0.78 APP (0.40) ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6685751-B2 SUCH AS 2-((2-AMINO-PHENYLAMINO)-METHYL)-1,4-DIAMINOBENZENE; HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 2004-02-03 US claimed
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 claimed
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 claimed
EP-1108708-B1 1,4-Diaminobenzene derivatives and colouring agents containing these compounds WELLA AG (DE) 2003-01-08 EP claimed
EP-1108708-A1 1,4-Diaminobenzene derivatives and colouring agents containing these compounds Wella Aktiengesellschaft (DE) 2001-06-20 EP claimed
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
EP-1108708-B1 1,4-Diaminobenzene derivatives and colouring agents containing these compounds WELLA AG (DE) 2003-01-08 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 (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-20030110578-A1 Substituted 1,4-diaminobenzene compounds and oxidation dye precursor compositions containing same KRT18, AOC1, DAO NTRK1 1362/4885IDH1 485/4885KDM4E 1123/4885

“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.