SCHEMBL6734684

SCHEMBL6734684

Nc1ccc(N)c(CNc2ccc(O)c(N)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.44
ARG1 P05089 1/20 0.41
PRKCI P41743 1/20 0.40
NOX4 Q9NPH5 2/20 0.39
MAPT P10636 2/20 0.39
RGS12 O14924 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LCK P06239 1/20 0.39
CAMKK2 Q96RR4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ACHE P22303 2/20 0.39
ADRA2B P18089 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38

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
SCHEMBL6268483 0.89 ARG1 (0.42) EGFRARG1PRKCINOX4MAPT
SCHEMBL6266435 0.86 ADRA2B (0.41) EGFRARG1NOX4MAPTRGS12
SCHEMBL6272046 0.83 EGFR (0.54) EGFRMAPTALDH1A1TDP1ADRA2B
SCHEMBL6270750 0.83 CASP1 (0.51) EGFRARG1PRKCIMAPTALDH1A1
SCHEMBL2473779 0.83 ADRA2B (0.47) EGFRMAPTALDH1A1ADRA2BCA12
SCHEMBL6269748 0.83 BCHE (0.45) EGFRMAPTALDH1A1TDP1ACHE
Hydrochloric Acid SCHEMBL6269529 0.82 EGFR (0.53) EGFRMAPTALDH1A1TDP1ADRA2B
Hydrochloric Acid SCHEMBL6269391 0.82 CASP1 (0.50) EGFRARG1PRKCIMAPTALDH1A1
Hydrochloric Acid SCHEMBL6273063 0.81 BCHE (0.44) EGFRMAPTALDH1A1TDP1ACHE
Hydrochloric Acid SCHEMBL2480911 0.81 ADRA2B (0.46) EGFRMAPTALDH1A1TDP1ACHE

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 EGFR 1114/4885ARG1 901/4885PRKCI 2922/4885

“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.