SCHEMBL6743520

SCHEMBL6743520

CNc1cccc(NCc2cc(N)ccc2N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
HPGD P15428 1/20 0.38
ADRA2B P18089 1/20 0.37
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
HTR6 P50406 1/20 0.33
DHFR P00374 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL2473372 0.87 MAPT (0.44) MAPTHPGDADRA2BALDH1A1L3MBTL1
SCHEMBL6741722 0.85 ADRA2B (0.43) MAPTADRA2BALDH1A1L3MBTL1HTR6
Hydrochloric Acid SCHEMBL2478272 0.85 MAPT (0.43) MAPTHPGDADRA2BALDH1A1L3MBTL1
SCHEMBL6271916 0.84 MAPT (0.55) MAPTHPGDALDH1A1L3MBTL1KDM4E
SCHEMBL6271319 0.82 FCGR3B (0.40) MAPTHPGDADRA2BALDH1A1L3MBTL1
SCHEMBL2477034 0.82 ADRA2B (0.45) MAPTADRA2BALDH1A1L3MBTL1KDM4E
SCHEMBL6271313 0.81 MAPT (0.37) MAPTHPGDADRA2BALDH1A1L3MBTL1
SCHEMBL6273652 0.81 MAPT (0.52) MAPTHPGDADRA2BALDH1A1L3MBTL1
SCHEMBL6272552 0.81 HDAC4 (0.42) ADRA2BHTR6GAAEGFR
SCHEMBL6270658 0.81 MAOB (0.46) MAPTHPGDALDH1A1L3MBTL1DHFR

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 MAPT 2345/4885HPGD 77/4885ADRA2B 2700/4885

“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.