SCHEMBL6739713

SCHEMBL6739713

Cc1cc(N(CCO)CCO)ccc1NCc1cc(N)ccc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.38
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 3/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 10/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
MAPK1 P28482 3/20 0.37
POLB P06746 3/20 0.37
HTT P42858 3/20 0.37
LMNA P02545 3/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
MCL1 Q07820 1/20 0.37
NPC1 O15118 1/20 0.37
MMP14 P50281 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RPS6KA2 Q15349 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
SCHEMBL6738490 0.86 KMT2A (0.40) ALDH1A1TDP1TSHRMAPTSMN1; SMN2
SCHEMBL6740444 0.85 ALDH1A1 (0.38) ALDH1A1TDP1TSHR
SCHEMBL6740212 0.85 ALDH1A1 (0.36) ALDH1A1TDP1TSHRMAPTSMN1; SMN2
SCHEMBL6266347 0.81 MAPT (0.43) ALDH1A1TDP1MAPTSMN1; SMN2MEN1
SCHEMBL2983003 0.81 MAPT (0.37) ALDH1A1TDP1TSHRMAPTSMN1; SMN2
SCHEMBL6268444 0.81 ADRA2B (0.37) ALDH1A1TDP1TSHRMAPTMEN1
Hydrochloric Acid SCHEMBL6740118 0.80 MAPT (0.42) ALDH1A1TDP1MAPTSMN1; SMN2MEN1
SCHEMBL6270789 0.78 HDAC4 (0.37) ALDH1A1TDP1TSHRMAPTMEN1
SCHEMBL6269111 0.76 MEN1 (0.36) MEN1KMT2A
SCHEMBL6738481 0.76 MAPT (0.36) ALDH1A1TDP1MAPTSMN1; SMN2MEN1

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 S100B 91/4885ALDH1A1 43/4885TDP1 964/4885

“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.