SCHEMBL515370

SCHEMBL515370

NC(=O)NNc1ncncn1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.36
EPHX2 P34913 2/20 0.34
P2RX7 Q99572 1/20 0.33
MAPT P10636 1/20 0.33
HSP90AA1 P07900 1/20 0.33
PEPD P12955 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
SCHEMBL28913372 0.78 ALDH1A1 (0.39) ALDH1A1GAAMAPTHSP90AA1
SCHEMBL513746 0.77 EPHX2 (0.43) ALDH1A1GAAEPHX2P2RX7MAPT
SCHEMBL5029231 0.72 HSP90AA1 (0.42) EPHX2HSP90AA1
SCHEMBL6759115 0.70 ALDH1A1 (0.60) ALDH1A1GAAMAPT
SCHEMBL9790159 0.70 EPHX2 (0.41) EPHX2P2RX7HSP90AA1
SCHEMBL9272032 0.68 P2RX7 (0.36) ALDH1A1GAAEPHX2P2RX7HSP90AA1
SCHEMBL517626 0.67 ALDH1A1 (0.39) ALDH1A1GAAMAPT
SCHEMBL2472029 0.65 EPHX2 (0.44) GAAEPHX2P2RX7HSP90AA1
SCHEMBL3470061 0.65 CYP1A2 (0.42) ALDH1A1GAAMAPTPEPD
SCHEMBL9004626 0.65 CTSD (0.54) ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118142349-A Acid-base resistant composite nanofiltration membrane and preparation method and application thereof 中国石油化工股份有限公司 2024-06-07 CN claimed
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-20100242188-A1 COMPOSITION FOR COLOURING KERATINOUS MATERIAL USING A SUPRA-MOLECULAR COLOURING SYSTEM L'OREAL S.A. (FR) 2010-09-30 US claimed
EP-2083791-A2 COMPOSITION FOR COLOURING KERATINOUS MATERIAL USING A SUPRA-MOLECULAR COLOURING SYSTEM L'Oreal (FR) 2009-08-05 EP claimed
WO-2008059125-A2 COMPOSITION FOR COLOURING KERATINOUS MATERIAL USING A SUPRA-MOLECULAR COLOURING SYSTEM L'OREAL (FR) 2008-05-22 WO 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
CN-118142349-A Acid-base resistant composite nanofiltration membrane and preparation method and application thereof 中国石油化工股份有限公司 2024-06-07 CN disclosed
CN-118142349-A Acid-base resistant composite nanofiltration membrane and preparation method and application thereof 中国石油化工股份有限公司 2024-06-07 CN disclosed
CN-110023380-B Aqueous dispersions of polyolefin supramolecular polymers and their use in cosmetics 莱雅公司 2022-10-04 CN disclosed
CN-110494122-B Process for dyeing hair comprising pigment and supramolecular polymer aqueous dispersion 莱雅公司 2022-09-27 CN disclosed
EP-3548544-B1 AQUEOUS DISPERSION OF POLYALKENE SUPRAMOLECULAR POLYMER AND ITS USE IN COSMETICS OREAL (FR) 2021-07-21 EP disclosed
WO-2008059125-A2 COMPOSITION FOR COLOURING KERATINOUS MATERIAL USING A SUPRA-MOLECULAR COLOURING SYSTEM L'OREAL (FR) 2008-05-22 WO 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 (5 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-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 ALDH1A1 2134/4885GAA 2708/4885EPHX2 2540/4885
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 ALDH1A1 1821/4885GAA 1408/4885EPHX2 946/4885
US-20100242188-A1 COMPOSITION FOR COLOURING KERATINOUS MATERIAL USING A SUPRA-MOLECULAR COLOURING SYSTEM KRT18, S100A6, IK ALDH1A1 1427/4885GAA 4401/4885EPHX2 4067/4885
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 ALDH1A1 1508/4885GAA 1243/4885EPHX2 958/4885
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 ALDH1A1 1508/4885GAA 1243/4885EPHX2 958/4885

“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.