SCHEMBL4801475

SCHEMBL4801475

CC(=O)Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)O)cc4)c4ccc(S(=O)(=O)O)cc34)c(O)c12.[NaH].[NaH].[NaH].[NaH]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.51
▸ CA3 P07451 1/20 0.51
▸ CD40 P25942 1/20 0.49
▸ CD40LG P29965 1/20 0.49
▸ MEN1 O00255 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ENPP2 Q13822 7/20 0.44
▸ PRMT3 O60678 1/20 0.43
▸ EP300 Q09472 1/20 0.43
▸ PRMT6 Q96LA8 1/20 0.43
▸ PRMT1 Q99873 1/20 0.43
▸ CYP2C9 P11712 3/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ PHLPP2 Q6ZVD8 1/20 0.42
▸ SENP3 Q9H4L4 2/20 0.41
▸ SENP2 Q9HC62 2/20 0.41
▸ SENP1 Q9P0U3 2/20 0.41

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
SCHEMBL1435644 1.00 CA2 (0.51) CA2CA3CD40CD40LGMEN1
SCHEMBL8647387 0.99 CA2 (0.52) CA2CA3CD40CD40LGMEN1
SCHEMBL18775362 0.99 CA2 (0.52) CA2CA3CD40CD40LGMEN1
SCHEMBL184756 0.99 CA2 (0.52) CA2CA3CD40CD40LGMEN1
SCHEMBL6120387 0.99 CA2 (0.52) CA2CA3CD40CD40LGMEN1
SCHEMBL4801488 0.92 CD40 (0.46) CA2CA3CD40CD40LGMEN1
SCHEMBL4801447 0.92 CD40 (0.46) CA2CA3CD40CD40LGMEN1
SCHEMBL3756079 0.91 MEN1 (0.48) CA2CA3CD40CD40LGMEN1
SCHEMBL3756091 0.91 MEN1 (0.48) CA2CA3CD40CD40LGMEN1
SCHEMBL2704872 0.86 CA2 (0.54) CA2CA3CD40CD40LGMEN1

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
US-10259946-B1 Sealing agents, methods of making and uses thereof James Hardie Technology Limited (IE) 2019-04-16 — — US disclosed
US-7462204-B2 Cationic diaminopyrazoles, a process for producing them and colorants containing these compounds WELLA AG (DE) 2008-12-09 — — US disclosed
US-7458992-B2 Dye-containing pellets for dyeing keratin fibres WELLA AG (DE) 2008-12-02 — — US disclosed
US-7361198-B2 M-diaminobenzenes, their acid adducts and the use thereof in colorants WELLA AG (DE) 2008-04-22 — — US disclosed
US-7320711-B2 Dyestuff for keratin fibers WELLA AG (DE) 2008-01-22 — — US disclosed
US-20070199159-A1 Dye-containing pellets and their use PROCTER & GAMBLE COMPANY, THE 2007-08-30 — — US disclosed
WO-2007093954-A1 DYE-CONTAINING PELLETS AND THEIR USE THE PROCTER & GAMBLE COMPANY (US) 2007-08-23 — — WO disclosed
EP-1820487-A1 Dye-containing pellets and their use Wella Aktiengesellschaft (DE) 2007-08-22 — — EP disclosed
US-20070056120-A1 Cationic diaminopyrazoles, a process for producing them and colorants containing these compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2007-03-15 — — US disclosed
US-7125427-B2 Coloring agent for keratin fibers WELLA AG (DE) 2006-10-24 — — US disclosed
US-20060162097-A1 Dye-containing pellets for dyeing keratin fibres HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2006-07-27 — — US disclosed
US-20060121070-A1 Dyestuff for keratin fibers HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2006-06-08 — — US disclosed
US-7018426-B2 Oxidation dye WELLA AG (DE) 2006-03-28 — — US disclosed
US-20060047172-A1 M-diaminobenzenes, their acid adducts and the use thereof in colorants Wella GmbH (DE) 2006-03-02 — — US disclosed
US-20030159222-A1 Oxidation dye HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-08-28 — — 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-20030159222-A1 Oxidation dye KRT18, NOX4, VIM CA2 428/4885CA3 1005/4885CD40 4702/4885
US-20060047172-A1 M-diaminobenzenes, their acid adducts and the use thereof in colorants DDT, NQO1, MDH2 CA2 2299/4885CA3 1721/4885CD40 4834/4885
US-20070056120-A1 Cationic diaminopyrazoles, a process for producing them and colorants containing these compounds KRT18, DSP, TUBA4A CA2 1677/4885CA3 2159/4885CD40 4867/4885

“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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