SCHEMBL6742862

SCHEMBL6742862

Nc1cc(O)cc(NCc2cc(N)ccc2N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 1/20 0.38
EGFR P00533 4/20 0.37
APP P05067 5/20 0.35
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
PRKCI P41743 1/20 0.33
ACHE P22303 4/20 0.33
CYP19A1 P11511 1/20 0.33
MAOB P27338 2/20 0.32
MAOA P21397 1/20 0.32
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
THRB P10828 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
SCHEMBL6272046 0.83 EGFR (0.54) ADRA2BEGFRAPPALDH1A1TDP1
SCHEMBL6269748 0.83 BCHE (0.45) ADRA2BEGFRALDH1A1TDP1CA12
Hydrochloric Acid SCHEMBL6269529 0.82 EGFR (0.53) ADRA2BEGFRAPPALDH1A1TDP1
Hydrochloric Acid SCHEMBL6273063 0.81 BCHE (0.44) EGFRALDH1A1TDP1CA12CA1
SCHEMBL6740904 0.81 ALDH1A1 (0.44) ADRA2BALDH1A1TDP1CA12CA1
SCHEMBL6734397 0.81 MAPT (0.42) ADRA2BALDH1A1TDP1CA12CA1
SCHEMBL2473779 0.79 ADRA2B (0.47) ADRA2BEGFRAPPALDH1A1CA12
SCHEMBL6735813 0.79 ADRA2B (0.35) ADRA2B
SCHEMBL6268483 0.79 ARG1 (0.42) ADRA2BEGFRAPPALDH1A1TDP1
SCHEMBL2473372 0.78 MAPT (0.44) ADRA2BALDH1A1TDP1CYP19A1MAPT

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 ADRA2B 2700/4885EGFR 1114/4885APP 1039/4885

“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.