SCHEMBL4853149

SCHEMBL4853149

Cc1cc([N+](=O)[O-])ccc1NCCOCCO

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.57
TSHR P16473 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
MAPT P10636 12/20 0.53
MEN1 O00255 8/20 0.53
CRHBP P24387 3/20 0.53
CRHR2 Q13324 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 10/20 0.52
HTT P42858 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 1/20 0.49
THRB P10828 2/20 0.48
ALPG P10696 1/20 0.48
GAA P10253 1/20 0.47

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
SCHEMBL9682978 0.86 KMT2A (0.65) KMT2ATSHRTDP1MAPTMEN1
SCHEMBL29868082 0.85 KMT2A (0.71) KMT2ATSHRTDP1MAPTMEN1
SCHEMBL563246 0.85 KMT2A (0.71) KMT2ATSHRTDP1MAPTMEN1
SCHEMBL14003611 0.83 ALDH1A1 (0.65) KMT2ATSHRTDP1MAPTMEN1
SCHEMBL6559600 0.83 ALDH1A1 (0.67) KMT2ATSHRTDP1MAPTMEN1
SCHEMBL14003609 0.82 ALDH1A1 (0.60) KMT2ATSHRTDP1MAPTMEN1
SCHEMBL4862815 0.81 KMT2A (0.56) KMT2ATSHRTDP1MAPTMEN1
SCHEMBL4861171 0.81 ALDH1A1 (0.59) KMT2ATSHRTDP1MAPTMEN1
SCHEMBL4861926 0.81 ALDH1A1 (0.59) KMT2ATSHRTDP1MAPTMEN1
Di(Hydroxyethyl)Ether SCHEMBL7078302 0.80 TDP1 (0.66) KMT2ATSHRTDP1MAPTMEN1

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-7445645-B2 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith L'OREAL S.A. (FR) 2008-11-04 US disclosed
US-7445645-B2 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith L'OREAL S.A. (FR) 2008-11-04 US disclosed
US-7445645-B2 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith L'OREAL S.A. (FR) 2008-11-04 US disclosed
US-20060026774-A1 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith L'OREAL S.A. (FR) 2006-02-09 US disclosed
EP-1568355-A1 N-alkylhydroxilated secondary paraphenylenediamine which is ortho- and/or meta substituted, composition for dying keratinous fibres comprising this paraphenylenediamine, methods based on this composition and uses. L'OREAL (FR) 2005-08-31 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-20060026774-A1 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith KRT18, CDC73, TYR KMT2A 821/4885TSHR 4206/4885TDP1 1822/4885

“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.