SCHEMBL514929

SCHEMBL514929

CCCCCNc1ccnnn1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.46
DNM2 P50570 4/20 0.44
SOAT1 P35610 2/20 0.42
HCAR3 P49019 2/20 0.42
KCNH3 Q9ULD8 2/20 0.38
CYP4Z1 Q86W10 4/20 0.36
S1PR2 O95136 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL3689385 0.98 DNM2 (0.47) TLR8DNM2SOAT1HCAR3CYP4Z1
SCHEMBL28859627 0.98 DNM2 (0.47) TLR8DNM2SOAT1HCAR3CYP4Z1
SCHEMBL1638321 0.83 TLR8 (0.34) TLR8DNM2SOAT1HCAR3CYP4Z1
SCHEMBL17927689 0.79 SOAT1 (0.46) TLR8DNM2SOAT1HCAR3KCNH3
SCHEMBL28163938 0.77 SOAT1 (0.48) TLR8DNM2SOAT1HCAR3KCNH3
SCHEMBL4099219 0.76 KDM4E (0.40) LMNASMN1; SMN2
SCHEMBL13356938 0.73 TLR8 (0.47) TLR8SOAT1HCAR3LMNASMN1; SMN2
SCHEMBL18641559 0.72 TLR8 (0.33) TLR8HCAR3
SCHEMBL23768365 0.71 SOAT1 (0.49) TLR8DNM2SOAT1HCAR3
SCHEMBL3662937 0.71 DNM2 (0.50) TLR8DNM2SOAT1HCAR3S1PR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354097-B2 Cosmetic composition forming after application a supramolecular polymer L'OREAL (FR) 2013-01-15 US 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-7862805-B2 Cosmetic composition forming after application a supramolecular polymer L'OREAL (FR) 2011-01-04 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
US-20100247466-A1 COSMETIC COMPOSITION FORMING AFTER APPLICATION A SUPRAMOLECULAR POLYMER L'OREAL (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
EP-1768644-B1 LIGHT PROTECTING-EFFECTIVE COSMETIC OR DERMATOLOGICAL PREPARATIONS CIBA HOLDING INC (CH) 2009-02-18 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
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
JP-2006505514-A 2006-02-16 JP claimed
US-20050267109-A1 Pyridyl-triazine derivatives as microbiocidal active substances CIBA SPECIALTY CHEMICALS CORP. 2005-12-01 US claimed
JP-2005520777-A 2005-07-14 JP claimed
EP-1525196-A1 PYRIDYL-TRIAZINE DERIVATIVES AS MICROBICIDAL ACTIVE SUBSTANCES Ciba SC Holding AG (CH) 2005-04-27 EP claimed
US-20040161394-A1 Cosmetic composition forming after application a supramolecular polymer L'OREAL (FR) 2004-08-19 US claimed
EP-1392222-A1 COSMETIC COMPOSITION FORMING AFTER APPLICATION A SUPRAMOLECULAR POLYMER L'OREAL (FR) 2004-03-03 EP claimed
WO-2004013124-A1 PYRIDYL-TRIAZINE DERIVATIVES AS MICROBICIDAL ACTIVE SUBSTANCES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-02-12 WO claimed
WO-2002098377-A1 COSMETIC COMPOSITION FORMING AFTER APPLICATION A SUPRAMOLECULAR POLYMER L'OREAL (FR) 2002-12-12 WO claimed

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-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 TLR8 3680/4885DNM2 2766/4885SOAT1 2624/4885
US-20100242188-A1 COMPOSITION FOR COLOURING KERATINOUS MATERIAL USING A SUPRA-MOLECULAR COLOURING SYSTEM KRT18, S100A6, IK TLR8 4213/4885DNM2 3139/4885SOAT1 3794/4885
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 TLR8 3855/4885DNM2 2700/4885SOAT1 2599/4885
US-20040161394-A1 Cosmetic composition forming after application a supramolecular polymer KRT18, DSG1, CUTA TLR8 2540/4885DNM2 1079/4885SOAT1 2859/4885
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 TLR8 3855/4885DNM2 2700/4885SOAT1 2599/4885
US-20100247466-A1 COSMETIC COMPOSITION FORMING AFTER APPLICATION A SUPRAMOLECULAR POLYMER KRT18, CUTA, DSG1 TLR8 2682/4885DNM2 1019/4885SOAT1 2740/4885
US-20050267109-A1 Pyridyl-triazine derivatives as microbiocidal active substances C3AR1, C1S, C5 TLR8 1469/4885DNM2 2024/4885SOAT1 3709/4885

“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.