SCHEMBL462730

SCHEMBL462730

Cc1ccc(Nc2ccc(Nc3ccc(C)cc3S(=O)(=O)O)c3c2C(=O)c2ccccc2C3=O)c(S(=O)(=O)O)c1.[NaH].[NaH]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY4 P51582 6/20 0.51
▸ P2RY2 P41231 5/20 0.51
▸ GNG2 P59768 4/20 0.48
▸ GNB1 P62873 4/20 0.48
▸ MEN1 O00255 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ CASP6 P55212 1/20 0.47
▸ ELAVL1 Q15717 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ PHLPP2 Q6ZVD8 2/20 0.46
▸ PGAM1 P18669 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ LMNA P02545 1/20 0.44

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
SCHEMBL344329 0.99 P2RY4 (0.52) P2RY4P2RY2GNG2GNB1MEN1
SCHEMBL29678418 0.99 P2RY4 (0.52) P2RY4P2RY2GNG2GNB1MEN1
SCHEMBL462731 0.97 P2RY4 (0.51) P2RY4P2RY2GNG2GNB1MEN1
SCHEMBL9334941 0.95 GNG2 (0.50) P2RY4P2RY2GNG2GNB1MEN1
SCHEMBL17637566 0.95 P2RY4 (0.49) P2RY4P2RY2GNG2GNB1MEN1
SCHEMBL185514 0.94 P2RY2 (0.47) P2RY4P2RY2GNG2GNB1MEN1
SCHEMBL23787875 0.93 P2RY4 (0.60) P2RY4P2RY2GNG2GNB1MEN1
SCHEMBL9172504 0.93 GNG2 (0.51) P2RY4P2RY2GNG2GNB1MEN1
SCHEMBL20333921 0.92 MAPT (0.59) P2RY4P2RY2GNG2GNB1MEN1
SCHEMBL2343045 0.92 CYP1A2 (0.51) P2RY4P2RY2GNG2GNB1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2930126-B1 Fashionable aerosol dye HENKEL AG & CO KGAA (DE) 2019-10-09 — — EP claimed
EP-3229918-B1 COMPOSITION AND PROCEDURE FOR TREATING KERATINIC FIBERS WITH FLASH EVAPORATION HENKEL AG & CO KGAA (DE) 2024-03-13 — — EP disclosed
US-10342751-B2 Double-chamber pouch for dyeing human hair HENKEL AG & CO. KGAA (DE) 2019-07-09 — — US disclosed
US-10259946-B1 Sealing agents, methods of making and uses thereof James Hardie Technology Limited (IE) 2019-04-16 — — US disclosed
US-10179093-B2 Compositions and methods for coloring keratinic fibers HENKEL AG & CO. KGAA (DE) 2019-01-15 — — US disclosed
US-10111508-B2 Composition and method for treating keratin fibers with flash evaporation HENKEL AG & CO. KGAA (DE) 2018-10-30 — — US disclosed
US-20180098927-A1 DOUBLE-CHAMBER POUCH FOR DYEING HUMAN HAIR HENKEL AG & CO. KGAA (DE) 2018-04-12 — — US disclosed
US-20170312188-A1 COMPOSITIONS AND METHODS FOR COLORING KERATINIC FIBERS HENKEL AG & CO. KGAA (DE) 2017-11-02 — — US disclosed
US-20170273424-A1 COMPOSITION AND METHOD FOR TREATING KERATIN FIBERS WITH FLASH EVAPORATION HENKEL AG & CO. KGAA (DE) 2017-09-28 — — US disclosed
US-9173829-B2 Compositions for dyeing keratin fibers HENKEL AG & CO. KGAA (DE) 2015-11-03 — — 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-20020189031-A1 Use of salts for improving the absorption qualities of anionic direct dyes WELLA AKTIENGESELLSCHAFT (DE) 2002-12-19 — — US disclosed
US-6485529-B1 Agent and method for coloring fibers WELLA AKTIENGESELLSCHAFT (DE) 2002-11-26 — — 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
US-6361571-B1 USING TAUTOMERIC NONOXIDATIVE DYES AND POLYMETHINE DYES WELLA AKTIENGESELLSCHAFT (DE) 2002-03-26 — — US disclosed
US-6231622-B1 MIXTURES; BLUE COLOR WELLA AKTIENGESELLSCHAFT (DE) 2001-05-15 — — US disclosed
US-6171347-B1 REMOVAL OF HAIR COLOR TO BE WORN FOR ONLY A SHORT PERIOD OF TIME UNDER MILD, GENTLE CONDITIONS BY USING A COMBINATION OF A SUITABLE REDUCTONE, SUCH AS ASCORBIC ACID, AND/OR A THIOL AND/OR A SULFITE WELLA AKTIENGESELLSCHAFT (DE) 2001-01-09 — — US disclosed
US-6106579-A MIXTURE OF OXOCARBOXYLIC ACID AND REDUCING AGENT WELLA AKTIENGESELLSCHAFT (DE) 2000-08-22 — — 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 (2 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-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 P2RY4 3248/4885P2RY2 3457/4885GNG2 3672/4885
US-20020170125-A1 Bridged diaminopyrazole compounds and dye compositions containing same ALK, DDC, CBR1 P2RY4 1313/4885P2RY2 2091/4885GNG2 4162/4885

“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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