SCHEMBL6741722

SCHEMBL6741722

CNc1ccc(NCc2cc(N)ccc2N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 1/20 0.43
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
EGFR P00533 1/20 0.35
MAPT P10636 3/20 0.33
GAA P10253 2/20 0.33
HTT P42858 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
APP P05067 4/20 0.33
HTR6 P50406 1/20 0.33
PRKCI P41743 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
ALDH1A1 P00352 2/20 0.32
RECQL P46063 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CA12 O43570 1/20 0.32
CASP1 P29466 2/20 0.31
RPS6KA2 Q15349 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
SCHEMBL2473779 0.89 ADRA2B (0.47) ADRA2BMAOAMAOBEGFRMAPT
Hydrochloric Acid SCHEMBL2480911 0.87 ADRA2B (0.46) ADRA2BMAOAMAOBEGFRMAPT
SCHEMBL6267226 0.86 MAPT (0.47) ADRA2BMAOAMAOBMAPTGAA
SCHEMBL6743520 0.85 MAPT (0.38) ADRA2BEGFRMAPTGAAHTT
Hydrochloric Acid SCHEMBL6849297 0.85 MAPT (0.46) ADRA2BMAOAMAOBMAPTGAA
SCHEMBL6269373 0.83 MEN1 (0.43) ADRA2BMAOAMAOBEGFRMAPT
SCHEMBL6272111 0.83 MEN1 (0.47) ADRA2BMAPTGAACA1CA2
SCHEMBL6270346 0.83 ADRA2B (0.50) ADRA2BMAOAMAOBEGFRMAPT
SCHEMBL6272046 0.83 EGFR (0.54) ADRA2BEGFRMAPTGAAHTT
SCHEMBL6266435 0.82 ADRA2B (0.41) ADRA2BMAOAMAOBEGFRMAPT

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 ADRA2B 2700/4885MAOA 285/4885MAOB 85/4885

“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.