SCHEMBL6739375

SCHEMBL6739375

Nc1ccc(N)c(CNc2c(N)cccc2OCCO)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
CASP1 P29466 1/20 0.33
HTT P42858 1/20 0.33
CASP7 P55210 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 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
SCHEMBL6740842 0.84 ALDH1A1 (0.34) TSHRTDP1MAPTKDM4EMEN1
SCHEMBL6272725 0.83 GAA (0.39) TSHRTDP1MAPTKDM4EMEN1
SCHEMBL6742538 0.81 GAA (0.41) TSHRTDP1MAPTKDM4EMEN1
SCHEMBL6270740 0.80 TSHR (0.44) TSHRTDP1MAPTKDM4EMEN1
SCHEMBL6270630 0.80 MAPT (0.38) TSHRTDP1MAPTKDM4EMEN1
SCHEMBL6738092 0.80 BACE1 (0.31) SLC6A2SLC6A4SLC6A3
SCHEMBL6269586 0.80 SYK (0.43) TSHRMAPTMEN1ALDH1A1TP53
Hydrochloric Acid SCHEMBL6744211 0.79 KDM4E (0.40) TSHRTDP1MAPTKDM4EMEN1
SCHEMBL6269606 0.79 IDH1 (0.38) TSHRTDP1MAPTKDM4EMEN1
SCHEMBL6734298 0.79 GAA (0.32) TDP1KDM4EALDH1A1GAA

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 5 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 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 TSHR 4650/4885TDP1 964/4885MAPT 2345/4885

“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.