SCHEMBL6267201

SCHEMBL6267201

Nc1ccc(NCc2c(N)ccc(N)c2CCO)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MAPT P10636 4/20 0.33
RAB9A P51151 2/20 0.33
FCGR3B O75015 1/20 0.33
FCGR1A P12314 1/20 0.33
FCGR2A P12318 1/20 0.33
ADRA2B P18089 1/20 0.33
APP P05067 2/20 0.33
EGFR P00533 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
SNCA P37840 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL6270337 0.86 FFAR1 (0.39) MAOAMAOBMAPTTDP1ALDH1A1
SCHEMBL6738089 0.83 NOS1 (0.46) MAOAMAOBMAPTRAB9AAPP
SCHEMBL6735131 0.83 MAOA (0.35) MAOAMAOBFCGR3BFCGR1AFCGR2A
SCHEMBL6269425 0.82 MAOA (0.40) MAOAMAOBMAPTRAB9AADRA2B
SCHEMBL6740364 0.82 DDX3X (0.41) MAOAMAOBMAPTFCGR3BFCGR1A
SCHEMBL6273902 0.82 ALDH1A1 (0.34) MAPTMEN1KMT2AKDM4ETP53
SCHEMBL6274025 0.79 NOS1 (0.35) APPTDP1
SCHEMBL7818535 0.79 MAOA (0.36) MAOAMAOBMAPTRAB9AADRA2B
SCHEMBL6269427 0.78 MAOA (0.36) MAOAMAOBMAPTRAB9AADRA2B
SCHEMBL460054 0.77 TDP1 (0.38) MAPTRAB9AMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6696093-B2 USING A HYDANTOIN COMPOUND AS STABILIZER LONZA INC. 2004-02-24 US claimed
EP-1116711-B1 2-aminoalkyl-1,4-diaminobenzene derivatives and dye composition containing these compounds WELLA AG (DE) 2005-12-14 EP disclosed
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
US-20020189033-A1 Substituted 2-aminoalkyl-1,4diaminobenzene compounds and oxidation dye precursor compositions containing same WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2002-12-19 US disclosed
EP-1116711-A2 2-aminoalkyl-1,4-diaminobenzene derivatives and dye composition containing these compounds Wella Aktiengesellschaft (DE) 2001-07-18 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 (2 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-20020189033-A1 Substituted 2-aminoalkyl-1,4diaminobenzene compounds and oxidation dye precursor compositions containing same DDT, CYP1B1, ALDH7A1 MAOA 192/4885MAOB 128/4885MAPT 3205/4885
US-20030110578-A1 Substituted 1,4-diaminobenzene compounds and oxidation dye precursor compositions containing same KRT18, AOC1, DAO MAOA 285/4885MAOB 85/4885MAPT 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.