SCHEMBL6852270

SCHEMBL6852270

CC(C)(C)OC(=O)NC1(C)C=CC=CC1N

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 4/20 0.35
NFKB2 Q00653 4/20 0.35
RELA Q04206 4/20 0.35
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
APLNR P35414 1/20 0.33
GAA P10253 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
SCHEMBL7615443 0.83 NFKB1 (0.36) NFKB1NFKB2RELAMEN1MAPK1
SCHEMBL6180819 0.80 NFKB1 (0.34) NFKB1NFKB2RELAMEN1MAPK1
SCHEMBL6853200 0.76 TDP1 (0.34) NFKB1NFKB2RELAMEN1MAPK1
SCHEMBL20337122 0.72 NFKB1 (0.35) NFKB1NFKB2RELAMEN1MAPK1
SCHEMBL9285838 0.69 CA1 (0.35) NFKB1NFKB2RELAKMT2AAPLNR
SCHEMBL13485258 0.68 MEN1 (0.41) NFKB1NFKB2RELAMEN1MAPK1
SCHEMBL10127311 0.68 MEN1 (0.41) NFKB1NFKB2RELAMEN1MAPK1
SCHEMBL13485263 0.68 MEN1 (0.41) NFKB1NFKB2RELAMEN1MAPK1
SCHEMBL18586307 0.68 NFKB1 (0.34) NFKB1NFKB2RELAMEN1MAPK1
SCHEMBL5812850 0.68 NFKB1 (0.34) NFKB1NFKB2RELAMEN1MAPK1

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-6800097-B2 FOR DYEING KERATIN FIBERS; HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 2004-10-05 US disclosed
US-6780998-B2 DEVELOPER-COUPLER SUBSTANCE COMBINATION HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 2004-08-24 US disclosed
US-20030070241-A1 Substituted 2-aminoalkyl-1,4-Diaminobenzene compounds and oxidation dye precursor compositions containing same WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2003-04-17 US disclosed
US-20020189033-A1 Substituted 2-aminoalkyl-1,4diaminobenzene compounds and oxidation dye precursor compositions containing same WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2002-12-19 US disclosed
US-6436152-B1 Substituted 2-aminoalky-1,4-diaminobenzene compounds and oxidation dye precursor compositions containing same WELLA AKTIENGESELLSCHAFT (DE) 2002-08-20 US 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 (2 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-20020189033-A1 Substituted 2-aminoalkyl-1,4diaminobenzene compounds and oxidation dye precursor compositions containing same DDT, CYP1B1, ALDH7A1 NFKB1 2525/4885NFKB2 2359/4885RELA 4527/4885
US-20030070241-A1 Substituted 2-aminoalkyl-1,4-Diaminobenzene compounds and oxidation dye precursor compositions containing same DDT, ALDH7A1, DDC NFKB1 2749/4885NFKB2 2207/4885RELA 4399/4885

“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.