SCHEMBL6744253

SCHEMBL6744253

Nc1ccc(N)c(CNc2ccc(NCCC(O)O)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 1/20 0.41
APP P05067 2/20 0.35
EGFR P00533 1/20 0.34
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
PLEC Q15149 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
PRSS1 P07477 8/20 0.32
F2 P00734 2/20 0.31
PRSS2 P07478 2/20 0.31
PRSS3 P35030 2/20 0.31
TMPRSS6 Q8IU80 2/20 0.31
ST14 Q9Y5Y6 2/20 0.31
HDAC4 P56524 1/20 0.31
MEF2D Q14814 1/20 0.31
CA12 O43570 2/20 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
SCHEMBL7808737 0.93 ADRA2B (0.38) ADRA2BAPPEGFRMEN1ALDH1A1
SCHEMBL6740831 0.90 ADRA2B (0.36) ADRA2BMAPTMAOBHDAC4MEF2D
SCHEMBL6742118 0.87 ALDH1A1 (0.41) APPMEN1ALDH1A1POLBMAPT
SCHEMBL6272263 0.83 ADRA2B (0.44) ADRA2BAPPEGFRMEN1ALDH1A1
SCHEMBL6740890 0.83 CA12 (0.38) MEN1ALDH1A1MAPTKMT2APRSS1
SCHEMBL2473779 0.82 ADRA2B (0.47) ADRA2BAPPEGFRMEN1ALDH1A1
SCHEMBL6734243 0.81 PRKCI (0.33) APP
Hydrochloric Acid SCHEMBL2480911 0.81 ADRA2B (0.46) ADRA2BAPPEGFRMEN1ALDH1A1
SCHEMBL5393286 0.81 APP (0.44) APPMEN1ALDH1A1MAPTKMT2A
SCHEMBL6270346 0.80 ADRA2B (0.50) ADRA2BAPPEGFRMEN1ALDH1A1

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 2700/4885APP 1039/4885EGFR 1114/4885

“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.