SCHEMBL6740209

SCHEMBL6740209

Nc1ccc(N)c(CNc2cc(CCO)ccc2N)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX5 P09917 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
BACE1 P56817 1/20 0.35
MITF O75030 1/20 0.33
CYP19A1 P11511 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SIRT1 Q96EB6 1/20 0.32
CA2 P00918 1/20 0.31
FCGR3B O75015 1/20 0.30
FCGR1A P12314 1/20 0.30
FCGR2A P12318 1/20 0.30
ADRA2B P18089 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
SCHEMBL6743356 0.90 MITF (0.35) KDM4EALDH1A1ALOX5GAAMAPT
SCHEMBL6272601 0.83 MITF (0.33) MITFADRA2B
SCHEMBL6739441 0.82 ADRA2B (0.34) ADRA2B
Hydrochloric Acid SCHEMBL6740843 0.82 PRSS1 (0.33) MAPTMITFADRA2B
SCHEMBL6739905 0.78 EGFR (0.38) KDM4EALDH1A1MAPTMITFCA2
SCHEMBL6735813 0.78 ADRA2B (0.35) FCGR3BFCGR1AFCGR2AADRA2B
SCHEMBL6737786 0.77 CA12 (0.32) SIRT1CA2
SCHEMBL6741719 0.77 CA12 (0.38) KDM4EALDH1A1GAAMAPTSIRT1
SCHEMBL6735144 0.76 SLC6A2 (0.37) ALDH1A1MAPTSLC6A2SLC6A4CA2
SCHEMBL6739725 0.76 ADRA2B (0.37) ALDH1A1MAPTFCGR3BFCGR1AFCGR2A

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 KDM4E 1123/4885ALDH1A1 43/4885ALOX5 1432/4885

“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.