SCHEMBL6738490

SCHEMBL6738490

Nc1ccc(N)c(CNc2ccc(N(CCO)CCO)cc2Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
GAA P10253 3/20 0.35
PKM P14618 2/20 0.35
HTT P42858 2/20 0.35
MCL1 Q07820 1/20 0.35
KDM4E B2RXH2 2/20 0.32
ALOX15 P16050 2/20 0.31
CYP3A4 P08684 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 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
SCHEMBL6739713 0.86 S100B (0.38) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL6740444 0.86 ALDH1A1 (0.38) ALDH1A1TSHRTDP1
SCHEMBL6740212 0.83 ALDH1A1 (0.36) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL6268444 0.82 ADRA2B (0.37) KMT2AMAPTMEN1ALDH1A1TSHR
SCHEMBL6269473 0.81 ALDH1A1 (0.43) KMT2AMAPTMEN1SMN1; SMN2NPSR1
SCHEMBL6270789 0.79 HDAC4 (0.37) KMT2AMAPTMEN1ALDH1A1TSHR
SCHEMBL6269111 0.77 MEN1 (0.36) KMT2AMEN1
SCHEMBL6739710 0.77 CYP3A4 (0.34) KMT2AMAPTMEN1ATMNPSR1
SCHEMBL33587 0.76 MAPT (0.54) KMT2AMAPTMEN1LMNATP53
SCHEMBL6429126 0.74 TDP1 (0.39) KMT2AMAPTMEN1LMNATP53

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 KMT2A 1779/4885MAPT 2345/4885MEN1 2715/4885

“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.