SCHEMBL4846637

SCHEMBL4846637

NCC(O)CNc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
ABCB1 P08183 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GLA P06280 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP14 P50281 1/20 0.44
PTPRF P10586 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN11 Q06124 1/20 0.44

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
SCHEMBL6001727 0.85 MAPT (0.54) MAPTABCB1MEN1KMT2AALDH1A1
SCHEMBL3662904 0.83 MAPT (0.59) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5157176 0.83 MAPT (0.59) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL14157797 0.81 MAPT (0.50) MAPTABCB1MEN1KMT2AALDH1A1
SCHEMBL4953248 0.80 MAPT (0.60) MAPTABCB1MEN1KMT2AALDH1A1
SCHEMBL9820267 0.80 MAPT (0.61) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL27432095 0.79 ABCB1 (0.56) MAPTABCB1MEN1KMT2AALDH1A1
SCHEMBL14157801 0.77 MAPT (0.53) MAPTABCB1MEN1KMT2AALDH1A1
SCHEMBL13519848 0.77 MAPT (0.66) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2331941 0.77 KMT2A (0.47) MAPTMEN1KMT2AALDH1A1SMN1; SMN2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435268-B2 N-alkylhydroxylated secondary para-phenylenediamine compounds, composition for dyeing keratin fibers comprising the same, and dyeing processes using the composition L'OREAL S.A. (FR) 2008-10-14 US claimed
US-20060005322-A1 N-alkylhydroxylated secondary para-phenylenediamine compounds, composition for dyeing keratin fibers comprising the same, and dyeing processes using the composition L'OREAL S.A. (FR) 2006-01-12 US claimed
EP-1580185-A1 Secondary n-Alkylhydroxylated p-Phenylendiamins, dye composition for keratin fibers containing them, processes and uses. L'OREAL (FR) 2005-09-28 EP claimed
US-7435268-B2 N-alkylhydroxylated secondary para-phenylenediamine compounds, composition for dyeing keratin fibers comprising the same, and dyeing processes using the composition L'OREAL S.A. (FR) 2008-10-14 US disclosed
US-20060005322-A1 N-alkylhydroxylated secondary para-phenylenediamine compounds, composition for dyeing keratin fibers comprising the same, and dyeing processes using the composition L'OREAL S.A. (FR) 2006-01-12 US disclosed
EP-1580185-A1 Secondary n-Alkylhydroxylated p-Phenylendiamins, dye composition for keratin fibers containing them, processes and uses. L'OREAL (FR) 2005-09-28 EP disclosed
US-4745652-A DEVELOPERS FOR DYES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1988-05-24 US disclosed
EP-0256468-A2 Tetraaminopyrimidine derivatives and their use as hair dyeing agents Henkel Kommanditgesellschaft auf Aktien (DE) 1988-02-24 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-20060005322-A1 N-alkylhydroxylated secondary para-phenylenediamine compounds, composition for dyeing keratin fibers comprising the same, and dyeing processes using the composition KRT18, CDC73, PRKDC MAPT 1834/4885ABCB1 1734/4885MEN1 2780/4885

“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.