SCHEMBL6743356

SCHEMBL6743356

Nc1ccc(N)c(CNc2ccc(CCO)cc2N)c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.35
PRSS1 P07477 10/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
GAA P10253 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
ALOX5 P09917 1/20 0.34
BACE1 P56817 1/20 0.34
CYP19A1 P11511 1/20 0.33
SIRT1 Q96EB6 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
GFER P55789 1/20 0.31
PLEC Q15149 1/20 0.31
CA2 P00918 1/20 0.30

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
SCHEMBL6740209 0.90 KDM4E (0.35) MITFSLC6A2SLC6A4GAAKDM4E
SCHEMBL6272601 0.85 MITF (0.33) MITFPRSS1
Hydrochloric Acid SCHEMBL6740843 0.84 PRSS1 (0.33) MITFPRSS1MAPTTHRB
SCHEMBL6269549 0.83 PRSS1 (0.40) MITFPRSS1GAAKDM4EALDH1A1
SCHEMBL6739441 0.81 ADRA2B (0.34)
SCHEMBL6734234 0.79 PRSS1 (0.38) MITFPRSS1GAAKDM4EALDH1A1
SCHEMBL6735813 0.77 ADRA2B (0.35)
Hydrochloric Acid SCHEMBL6740557 0.77 ADRA2B (0.33)
SCHEMBL6742220 0.77 SLC6A2 (0.36) PRSS1SLC6A2SLC6A4ALDH1A1MAPT
SCHEMBL6737786 0.76 CA12 (0.32) SIRT1CA2

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 MITF 2020/4885PRSS1 2571/4885SLC6A2 4389/4885

“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.