SCHEMBL6849124

SCHEMBL6849124

Cc1c(N)ccc(N)c1N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
GAA P10253 5/20 0.41
MAPT P10636 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HTT P42858 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
LMNA P02545 3/20 0.41
ALOX15 P16050 2/20 0.41
S100B P04271 2/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KEAP1 Q14145 1/20 0.41
THRB P10828 3/20 0.40
NR4A1 P22736 1/20 0.40
PTK2B Q14289 1/20 0.40
RECQL P46063 2/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 2/20 0.38

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
SCHEMBL533108 0.88 ALDH1A1 (0.42) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL5318242 0.86 ALDH1A1 (0.42) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL534152 0.86 ALDH1A1 (0.42) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL6854811 0.82 LGMN (0.47) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL5564547 0.75 ALDH1A1 (0.46) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL30667342 0.75 ALDH1A1 (0.49) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL5092234 0.74 ALDH1A1 (0.51) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL11446174 0.74 ALDH1A1 (0.46) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL359793 0.73 KEAP1 (0.59) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL9905007 0.71 KEAP1 (0.62) ALDH1A1GAAMAPTMEN1KMT2A

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-6800097-B2 FOR DYEING KERATIN FIBERS; HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 2004-10-05 US disclosed
US-6780998-B2 DEVELOPER-COUPLER SUBSTANCE COMBINATION HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 2004-08-24 US disclosed
US-20030070241-A1 Substituted 2-aminoalkyl-1,4-Diaminobenzene compounds and oxidation dye precursor compositions containing same WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2003-04-17 US 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
US-6436152-B1 Substituted 2-aminoalky-1,4-diaminobenzene compounds and oxidation dye precursor compositions containing same WELLA AKTIENGESELLSCHAFT (DE) 2002-08-20 US 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 ALDH1A1 8/4885GAA 4412/4885MAPT 3205/4885
US-20030070241-A1 Substituted 2-aminoalkyl-1,4-Diaminobenzene compounds and oxidation dye precursor compositions containing same DDT, ALDH7A1, DDC ALDH1A1 7/4885GAA 4405/4885MAPT 3672/4885

“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.