SCHEMBL6741719

SCHEMBL6741719

Nc1ccc(N)c(CNc2cccc(CCO)c2N)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MAPT P10636 4/20 0.35
MAPK1 P28482 2/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NSD2 O96028 1/20 0.32
BLM P54132 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31
SIRT1 Q96EB6 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
SCHEMBL6739748 0.84 CA12 (0.45) CA12CA2CA9MAPTMAPK1
SCHEMBL6272601 0.84 MITF (0.33)
SCHEMBL6737786 0.83 CA12 (0.32) CA12CA2CA9SIRT1
SCHEMBL6739441 0.82 ADRA2B (0.34)
Hydrochloric Acid SCHEMBL6740843 0.82 PRSS1 (0.33) MAPTMEN1KMT2ABLM
SCHEMBL6734298 0.82 GAA (0.32) CA12CA2CA9GAAALDH1A1
SCHEMBL6141596 0.80 CA12 (0.37) CA12CA2CA9MAPTMAPK1
SCHEMBL6740842 0.79 ALDH1A1 (0.34) MAPTTP53GAAHSD17B10MEN1
Hydrochloric Acid SCHEMBL2984188 0.79 CA12 (0.36) CA12CA2CA9MAPTMAPK1
SCHEMBL6272151 0.78 CA12 (0.41) CA12CA2CA9MAPTMAPK1

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 CA12 855/4885CA2 1419/4885CA9 1647/4885

“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.