SCHEMBL4861926

SCHEMBL4861926

Cc1cc([N+](=O)[O-])ccc1NCCCCCCO

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.59
MAPT P10636 10/20 0.56
KMT2A Q03164 7/20 0.56
MEN1 O00255 6/20 0.56
CRHBP P24387 4/20 0.56
CRHR2 Q13324 4/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
KAT2B Q92831 1/20 0.54
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 2/20 0.50
GSTM2 P28161 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALPG P10696 1/20 0.50
THRB P10828 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL4861171 1.00 ALDH1A1 (0.59) ALDH1A1MAPTKMT2AMEN1CRHBP
SCHEMBL14003609 0.99 ALDH1A1 (0.60) ALDH1A1MAPTKMT2AMEN1CRHBP
SCHEMBL14003611 0.94 ALDH1A1 (0.65) ALDH1A1MAPTKMT2AMEN1CRHBP
SCHEMBL4951801 0.93 MAPT (0.62) ALDH1A1MAPTKMT2AMEN1CRHBP
SCHEMBL4952994 0.93 MAPT (0.62) ALDH1A1MAPTKMT2AMEN1CRHBP
SCHEMBL9682978 0.88 KMT2A (0.65) ALDH1A1MAPTKMT2AMEN1CRHBP
SCHEMBL4954687 0.88 MAPT (0.64) ALDH1A1MAPTKMT2AMEN1CRHBP
SCHEMBL9098100 0.87 MAPT (0.57) ALDH1A1MAPTKMT2AMEN1CRHBP
SCHEMBL14364287 0.84 MAPT (0.60) ALDH1A1MAPTKMT2AKAT2BPOLB
SCHEMBL4862815 0.83 KMT2A (0.56) ALDH1A1MAPTKMT2AMEN1CRHBP

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 ALDH1A1 968/4885MAPT 744/4885KMT2A 821/4885

“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.