SCHEMBL6734255

SCHEMBL6734255

Nc1ccc(N)c(CNc2c(N)cccc2Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
TSHR P16473 3/20 0.34
ALDH1A1 P00352 4/20 0.34
NR4A2 P43354 1/20 0.34
CYP3A4 P08684 2/20 0.34
ALOX15 P16050 2/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
EGFR P00533 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
PLA2G7 Q13093 1/20 0.32

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
SCHEMBL6741742 0.81 PLAU (0.38) ACHETSHRALDH1A1ALOX15HPGD
SCHEMBL6740071 0.81 CASP1 (0.36) TSHRALDH1A1CYP3A4ALOX15HPGD
SCHEMBL6740781 0.80 MAPT (0.35) TSHRALDH1A1CYP3A4ALOX15THRB
SCHEMBL6271939 0.79 KMT2A (0.47) TSHRALDH1A1ALOX15GAAHTT
SCHEMBL6735284 0.78 BPTF (0.35) TSHRALDH1A1CYP3A4ALOX15THRB
SCHEMBL6742538 0.78 GAA (0.41) TSHRALDH1A1HPGDGAAHTT
SCHEMBL6734298 0.78 GAA (0.32) ALDH1A1GAATDP1EGFR
SCHEMBL6269473 0.77 ALDH1A1 (0.43) TSHRALDH1A1CYP3A4ALOX15THRB
SCHEMBL6734215 0.76 CYP3A4 (0.41) TSHRALDH1A1CYP3A4ALOX15THRB
SCHEMBL6270658 0.75 MAOB (0.46) ALDH1A1HPGDHSD17B10GAAEGFR

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 BCHE 3234/4885ACHE 2422/4885TSHR 4650/4885

“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.