SCHEMBL456818

SCHEMBL456818

CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)O)cc3S(=O)(=O)O)c3ccc(=[N+](CC)C(C)[O-])cc-3oc2c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.64
▸ USP2 O75604 1/20 0.64
▸ POLB P06746 1/20 0.64
▸ PPARG P37231 1/20 0.64
▸ BLM P54132 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ RXFP1 Q9HBX9 1/20 0.64
▸ NCOR2 Q9Y618 1/20 0.64
▸ CHRM1 P11229 1/20 0.45
▸ APLNR P35414 2/20 0.41
▸ SLC6A4 P31645 8/20 0.41
▸ SLC6A2 P23975 4/20 0.41
▸ SLC6A3 Q01959 4/20 0.41
▸ AVPR2 P30518 2/20 0.40
▸ TGM2 P21980 1/20 0.39
▸ FPR2 P25090 2/20 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
SCHEMBL5712581 0.90 MEN1 (0.77) MEN1USP2POLBPPARGBLM
Water SCHEMBL185914 0.90 MEN1 (0.76) MEN1USP2POLBPPARGBLM
SCHEMBL17267894 0.90 MEN1 (0.76) MEN1USP2POLBPPARGBLM
SCHEMBL29569925 0.90 MEN1 (0.79) MEN1USP2POLBPPARGBLM
SCHEMBL17265451 0.90 MEN1 (0.66) MEN1USP2POLBPPARGBLM
Water SCHEMBL7715723 0.89 MEN1 (0.75) MEN1USP2POLBPPARGBLM
SCHEMBL29352150 0.85 MEN1 (0.87) MEN1USP2POLBPPARGBLM
SCHEMBL31011004 0.85 MEN1 (0.87) MEN1USP2POLBPPARGBLM
SCHEMBL31011003 0.85 MEN1 (0.87) MEN1USP2POLBPPARGBLM
SCHEMBL19661354 0.85 MEN1 (0.75) MEN1USP2POLBPPARGBLM

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8920673-B2 Phosphonium-based ionic liquids and uses LOS ALAMOS NATIONAL SECURITY, LLC (US) 2014-12-30 — — US disclosed
US-8632612-B2 Compositions for dyeing keratin fibers SEGETIS, INC. (US) 2014-01-21 — — US disclosed
EP-2613760-A2 COMPOSITIONS FOR DYEING KERATIN FIBERS Segetis, Inc. (US) 2013-07-17 — — EP disclosed
US-20130156716-A1 COMPOSITIONS FOR DYEING KERATIN FIBERS SEGETIS, INC. (US) 2013-06-20 — — US disclosed
EP-2103299-B1 Oxidizing hair colourant compositions PROCTER & GAMBLE (US) 2013-02-27 — — EP disclosed
US-20120138789-A1 Phosphonium-Based Ionic Liquids and Uses LOS ALAMOS NATIONAL SECURITY, LLC (US) 2012-06-07 — — US disclosed
WO-2012033813-A2 COMPOSITIONS FOR DYEING KERATIN FIBERS SEGETIS, INC. (US) 2012-03-15 — — WO disclosed
US-7597720-B2 Oxidizing hair colourant compositions THE PROCTER & GAMBLE COMPANY (US) 2009-10-06 — — US disclosed
EP-2103299-A2 Oxidizing hair colourant compositions The Procter and Gamble Company (US) 2009-09-23 — — EP disclosed
WO-2009060334-A2 OXIDIZING HAIR COLOURANT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2009-05-14 — — WO disclosed
US-20030159222-A1 Oxidation dye HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2003-08-28 — — US disclosed
US-6600050-B2 Inorganic and organic acids and agents, containing these compounds, for the oxidative dyeing of fibers such as hair for hair dyes WELLA AG (DE) 2003-07-29 — — US disclosed
US-20030131423-A1 Diaminopyrazole derivatives and oxidation hair dye containing pyrazolone derivatives HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-07-17 — — US disclosed
US-20030115684-A1 Novel diaminopyrazole derivatives and dyes containing said compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-06-26 — — US disclosed
US-6558433-B2 Oxidation hair dye WELLA AG (DE) 2003-05-06 — — US disclosed
US-20030041392-A1 Process for making 1,4-diamino-2-methoxymethylbenzene and salts thereof and compositions and methods for dyeing keratin fibers containing same Wella GmbH (DE) 2003-03-06 — — US disclosed
US-20020170125-A1 Bridged diaminopyrazole compounds and dye compositions containing same HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2002-11-21 — — US disclosed
US-6461390-B1 Process for making 2-aminomethyl-1, 4-diaminobenzene and its salts and compositions and methods for dyeing keratin fibers using same WELLA AKTIENGESELLSCHAFT (DE) 2002-10-08 — — US disclosed
WO-1990015441-A1 LASER DYE LIQUIDS, LASER DYE INSTRUMENTS AND METHODS EXCITON INCORPORATED (US) 1990-12-13 — — WO disclosed
US-4896329-A Laser dye liquids, laser dye instruments and methods EXCITON INCORPORATED (US) 1990-01-23 — — 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 (7 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 MEN1 4627/4885USP2 3238/4885POLB 462/4885
US-20030115684-A1 Novel diaminopyrazole derivatives and dyes containing said compounds AOC1, DPYD, PPOX MEN1 4234/4885USP2 4669/4885POLB 361/4885
US-20130156716-A1 COMPOSITIONS FOR DYEING KERATIN FIBERS KRT18, KRTCAP2, JUP MEN1 4678/4885USP2 2799/4885POLB 2609/4885
US-20030041392-A1 Process for making 1,4-diamino-2-methoxymethylbenzene and salts thereof and compositions and methods for dyeing keratin fibers containing same KRT18, SCNN1B, DDAH1 MEN1 1222/4885USP2 1665/4885POLB 219/4885
US-20030131423-A1 Diaminopyrazole derivatives and oxidation hair dye containing pyrazolone derivatives KRT18, AOC1, PPOX MEN1 4655/4885USP2 4522/4885POLB 363/4885
US-20020170125-A1 Bridged diaminopyrazole compounds and dye compositions containing same ALK, DDC, CBR1 MEN1 2920/4885USP2 4021/4885POLB 2118/4885
US-20120138789-A1 Phosphonium-Based Ionic Liquids and Uses SRMS, PHOSPHO1, TRMT1L MEN1 2559/4885USP2 4591/4885POLB 379/4885

“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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