SCHEMBL6740807

SCHEMBL6740807

CC(Nc1ccc(N(CCO)CCO)cc1)c1cc(N)ccc1N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.34
MEN1 O00255 7/20 0.34
MAPT P10636 4/20 0.34
HTT P42858 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAPK1 P28482 2/20 0.34
GAA P10253 4/20 0.34
PKM P14618 1/20 0.34
MCL1 Q07820 1/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 6/20 0.33
TDP1 Q9NUW8 5/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
TSHR P16473 2/20 0.33
RECQL P46063 2/20 0.33
PSMD14 O00487 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL6429128 0.87 KMT2A (0.34) KMT2AMEN1MAPTHTTNPSR1
SCHEMBL6734728 0.86 KMT2A (0.34) KMT2AMEN1MAPTHTTNPSR1
SCHEMBL6739233 0.80 ALDH1A1 (0.46) KMT2AMEN1MAPTHTTNPSR1
SCHEMBL6739761 0.80 MEN1 (0.41) KMT2AMEN1MAPTHTTNPSR1
SCHEMBL6740811 0.80 MEN1 (0.36) KMT2AMEN1MAPTHTTNPSR1
SCHEMBL6740985 0.77 MEN1 (0.35) KMT2AMEN1MAPTHTTGAA
SCHEMBL6483746 0.74 MEN1 (0.47) KMT2AMEN1MAPTHTTNPSR1
SCHEMBL6740875 0.74 MEN1 (0.36) KMT2AMEN1MAPTHTTNPSR1
SCHEMBL6268444 0.73 ADRA2B (0.37) KMT2AMEN1MAPTMAPK1GAA
SCHEMBL6484587 0.72 ALDH1A1 (0.52) KMT2AMEN1MAPTHTTNPSR1

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 KMT2A 1779/4885MEN1 2715/4885MAPT 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.