SCHEMBL4625380

SCHEMBL4625380

Nc1c(N=Nc2cc([N+](=O)[O-])cc(Cl)c2O)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c12.[Na].[Na]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 7/20 0.58
▸ PRMT1 Q99873 1/20 0.53
▸ CYP1A2 P05177 3/20 0.52
▸ CYP2C9 P11712 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ DNASE1L3 Q13609 1/20 0.46
▸ APEX1 P27695 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ PHLPP2 Q6ZVD8 2/20 0.40
▸ SUMO2 P61956 2/20 0.39
▸ SUMO1 P63165 2/20 0.39
▸ SENP7 Q9BQF6 2/20 0.39
▸ SENP2 Q9HC62 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ GRK2 P25098 1/20 0.39
▸ PLEC Q15149 1/20 0.39
▸ NT5E P21589 1/20 0.39
▸ FUT8 Q9BYC5 1/20 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
SCHEMBL2030511 1.00 ENPP2 (0.58) ENPP2PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL4625377 0.88 APEX1 (0.55) ENPP2PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL10769149 0.83 ENPP2 (0.63) ENPP2PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL2028368 0.83 ENPP2 (0.63) ENPP2PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL4627537 0.83 ENPP2 (0.63) ENPP2PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL15153907 0.83 ENPP2 (0.78) ENPP2PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL8819426 0.83 ENPP2 (0.78) ENPP2PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL10380130 0.83 ENPP2 (0.78) ENPP2PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL15153905 0.82 ENPP2 (0.77) ENPP2PRMT1CYP1A2CYP2C9MAPK1
SCHEMBL7062602 0.81 PRMT1 (0.42) ENPP2PRMT1CYP1A2CYP2C9MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778176-B1 COMPOSITION FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL AG & CO KGAA (DE) 2012-07-25 — — EP claimed
EP-1432388-B1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL AG & CO KGAA (DE) 2008-06-18 — — EP claimed
US-7300472-B2 Agents for coloring fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-11-27 — — US claimed
US-20070000074-A1 Agents for coloring fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2007-01-04 — — US claimed
EP-1534227-B1 AGENTS USED FOR DYEING KERATINOUS FIBERS HENKEL KGAA (DE) 2006-12-27 — — EP claimed
EP-1433469-B1 Composition for dyeing keratinous fibres HENKEL KGAA (DE) 2006-10-11 — — EP claimed
EP-1362579-B1 Agent for dyeing keratinous fibres HENKEL KGAA (DE) 2006-05-24 — — EP claimed
EP-1300135-B1 Agent for dyeing keratinous fibres comprising 2-aryliden-indolin-3-one derivatives HENKEL KGAA (DE) 2006-05-03 — — EP claimed
EP-1300134-B1 Agent for dyeing keratinous fibres with isophthalaldehydes HENKEL KGAA (DE) 2006-04-26 — — EP claimed
US-7413579-B2 Method for dyeing fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-08-19 — — US disclosed
US-7300472-B2 Agents for coloring fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-11-27 — — US disclosed
US-7225920-B2 Mixing device HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-06-05 — — US disclosed
US-20070000074-A1 Agents for coloring fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2007-01-04 — — US disclosed
US-20060265818-A1 At least two oxidation dye precursors, at least one of which must be of the developer type or at least two oxo dye precursors, at least one of which must be a reactive carbonyl compound; hair dyes producing uniform and natural-looking, lightened color reflections HENKEL KOMMANDITGESELLSCHAFT AUF AKLLEN (HENKEL KGAA) (DE) 2006-11-30 — — US disclosed
US-20060002965-A1 Mixing device HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) 2006-01-05 — — 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 (3 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-20060002965-A1 Mixing device TNF, EXOSC5, BMP6 ENPP2 665/4885PRMT1 4271/4885CYP1A2 3486/4885
US-20060265818-A1 At least two oxidation dye precursors, at least one of which must be of the developer type or at least two oxo dye precursors, at least one of which must be a reactive carbonyl compound; hair dyes producing uniform and natural-looking, lightened color reflections KRT18, CUTA, PLOD2 ENPP2 3500/4885PRMT1 1698/4885CYP1A2 987/4885
US-20070000074-A1 Agents for coloring fibers containing keratin KRT18, COL1A1, CYC1 ENPP2 4578/4885PRMT1 904/4885CYP1A2 1890/4885

“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.

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