SCHEMBL513873

SCHEMBL513873

NC(=O)Nc1nccc[n+]1[O-]

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.33
NR3C2 P08235 4/20 0.33
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
GAA P10253 3/20 0.31
MAPT P10636 1/20 0.31
GFER P55789 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL27442437 0.82 L3MBTL1 (0.39) PKMKDM4ELMNAHTT
SCHEMBL9523842 0.76 NPC1 (0.42) NPC1RAB9AMAPTKDM4ELMNA
SCHEMBL7013482 0.69
SCHEMBL512501 0.69 NR3C2 (0.38) NR3C2
SCHEMBL1594378 0.68 LMNA (0.52) P2RX7NR3C2NPC1PKMRAB9A
SCHEMBL10504892 0.67 GAA (0.40) NPC1RAB9AGAAMAPTGFER
SCHEMBL10985906 0.67 IDO1 (0.33)
SCHEMBL8320889 0.66 LMNA (0.50) P2RX7NR3C2NPC1PKMRAB9A
Hydrochloric Acid SCHEMBL29102678 0.66 LMNA (0.50) P2RX7NR3C2NPC1PKMRAB9A
SCHEMBL2469218 0.66 HSD17B10 (0.39) NPC1RAB9AGAAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120027698-A9 COSMETIC AND/OR PHARMACEUTICAL COMPOSITION COMPRISING AT LEAST ONE COPOLYMER COMPRISING AT LEAST ONE IONIZABLE GROUP, AND COSMETIC TREATMENT PROCESS L'OREAL S.A. 2012-02-02 US claimed
US-20100278764-A1 COSMETIC AND/OR PHARMACEUTICAL COMPOSITION COMPRISING AT LEAST ONE COPOLYMER COMPRISING AT LEAST ONE IONIZABLE GROUP, AND COSMETIC TREATMENT PROCESS L'OREAL S.A. 2010-11-04 US claimed
US-20070264208-A1 Cosmetic and/or pharmaceutical composition comprising at least one copolymer comprising at least one ionizable group, and cosmetic treatment process L'OREAL S.A. (FR) 2007-11-15 US claimed
US-20070189991-A1 Cosmetic compositon comprising a (Thio)urethane/ (thio)urea copolymer capable of forming at least 3 hydrogen bonds, and a method of cosmetic treatment L'OREAL S.A. (FR) 2007-08-16 US claimed
EP-1797868-A1 Cosmetic composition comprising a (thio)urethane/(thio)urea copolymer capable of forming at least 3 hydrogen bonds, and process for cosmetic treatment L'Oréal (FR) 2007-06-20 EP claimed
EP-1797867-A1 Cosmetic or pharmaceutical composition comprising a copolymer containing at least one ionisable group, and cosmetic treatment L'Oréal (FR) 2007-06-20 EP claimed
EP-3548544-B1 AQUEOUS DISPERSION OF POLYALKENE SUPRAMOLECULAR POLYMER AND ITS USE IN COSMETICS OREAL (FR) 2021-07-21 EP disclosed
US-10973751-B2 Hair dyeing process comprising a pigment and an aqueous dispersion of supramolecular polymer L'OREAL (FR) 2021-04-13 US disclosed
US-20200108007-A1 HAIR DYEING PROCESS COMPRISING A PIGMENT AND AN AQUEOUS DISPERSION OF SUPRAMOLECULAR POLYMER L'OREAL (FR) 2020-04-09 US disclosed
EP-3606502-A1 HAIR DYEING PROCESS COMPRISING A PIGMENT AND AN AQUEOUS DISPERSION OF SUPRAMOLECULAR POLYMER L'Oreal (FR) 2020-02-12 EP disclosed
EP-3548544-A1 AQUEOUS DISPERSION OF POLYALKENE SUPRAMOLECULAR POLYMER AND ITS USE IN COSMETICS L'OREAL (FR) 2019-10-09 EP disclosed
US-20190274946-A1 AQUEOUS DISPERSION OF POLYALKENE SUPRAMOLECULAR POLYMER AND ITS USE IN COSMETICS L'OREAL (FR) 2019-09-12 US disclosed
US-10335361-B2 Cosmetic process for making-up and/or caring for the skin and/or the lips L'OREAL (FR) 2019-07-02 US disclosed
WO-2010057920-A2 METHOD FOR MAKING UP OR CARING FOR EYELASHES OR EYEBROWS USING A POLYALKENE-BASED SUPRAMOLECULAR POLYMER L'OREAL (FR) 2010-05-27 WO disclosed
EP-2189151-A1 Process for the makeup of skin and/or lips by applying a composition comprising a supramolecular polymer L'OREAL (FR) 2010-05-26 EP disclosed
EP-2189148-A2 Dye composition for keratin fibres comprising a supramolecular polymer based on polyalcene, a pigment and a volatile solvent L'OREAL (FR) 2010-05-26 EP disclosed
US-20070264208-A1 Cosmetic and/or pharmaceutical composition comprising at least one copolymer comprising at least one ionizable group, and cosmetic treatment process L'OREAL S.A. (FR) 2007-11-15 US disclosed
US-20070189991-A1 Cosmetic compositon comprising a (Thio)urethane/ (thio)urea copolymer capable of forming at least 3 hydrogen bonds, and a method of cosmetic treatment L'OREAL S.A. (FR) 2007-08-16 US disclosed
EP-1797868-A1 Cosmetic composition comprising a (thio)urethane/(thio)urea copolymer capable of forming at least 3 hydrogen bonds, and process for cosmetic treatment L'Oréal (FR) 2007-06-20 EP disclosed
EP-1797867-A1 Cosmetic or pharmaceutical composition comprising a copolymer containing at least one ionisable group, and cosmetic treatment L'Oréal (FR) 2007-06-20 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 (8 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-20190274946-A1 AQUEOUS DISPERSION OF POLYALKENE SUPRAMOLECULAR POLYMER AND ITS USE IN COSMETICS KRT18, DSG1, CUTA P2RX7 4589/4885NR3C2 4816/4885NPC1 2151/4885
US-20070189991-A1 Cosmetic compositon comprising a (Thio)urethane/ (thio)urea copolymer capable of forming at least 3 hydrogen bonds, and a method of cosmetic treatment KRT18, TST, CTH P2RX7 3977/4885NR3C2 4817/4885NPC1 4772/4885
US-10973751-B2 Hair dyeing process comprising a pigment and an aqueous dispersion of supramolecular polymer TYR, NACA, POLR1C P2RX7 4779/4885NR3C2 2314/4885NPC1 3058/4885
US-20070264208-A1 Cosmetic and/or pharmaceutical composition comprising at least one copolymer comprising at least one ionizable group, and cosmetic treatment process KRT18, DSG1, DSC1 P2RX7 4722/4885NR3C2 4772/4885NPC1 3377/4885
US-10335361-B2 Cosmetic process for making-up and/or caring for the skin and/or the lips CUTA, DSG1, LPO P2RX7 4605/4885NR3C2 4876/4885NPC1 2660/4885
US-20120027698-A9 COSMETIC AND/OR PHARMACEUTICAL COMPOSITION COMPRISING AT LEAST ONE COPOLYMER COMPRISING AT LEAST ONE IONIZABLE GROUP, AND COSMETIC TREATMENT PROCESS KRT18, DSG1, DSC1 P2RX7 4686/4885NR3C2 4791/4885NPC1 3503/4885
US-20200108007-A1 HAIR DYEING PROCESS COMPRISING A PIGMENT AND AN AQUEOUS DISPERSION OF SUPRAMOLECULAR POLYMER TYR, NACA, POLR1C P2RX7 4779/4885NR3C2 2314/4885NPC1 3058/4885
US-20100278764-A1 COSMETIC AND/OR PHARMACEUTICAL COMPOSITION COMPRISING AT LEAST ONE COPOLYMER COMPRISING AT LEAST ONE IONIZABLE GROUP, AND COSMETIC TREATMENT PROCESS KRT18, DSG1, DSC1 P2RX7 4686/4885NR3C2 4791/4885NPC1 3503/4885

“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.