SCHEMBL515358

SCHEMBL515358

CCCCCNc1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.59
ALOX12 P18054 1/20 0.57
CYP1A2 P05177 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
HTT P42858 1/20 0.54
CXCR4 P61073 1/20 0.52
DRD2 P14416 4/20 0.50
ADRA1A P35348 4/20 0.50
DRD3 P35462 4/20 0.50
FABP1 P07148 1/20 0.50
FABP6 P51161 1/20 0.50
HCAR3 P49019 1/20 0.50
TLR8 Q9NR97 2/20 0.47
ITGB3 P05106 1/20 0.47
ITGAV P06756 1/20 0.47
SOAT1 P35610 2/20 0.47
S1PR2 O95136 1/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL30449687 1.00 CYP2C19 (0.59) CYP2C19ALOX12CYP1A2SMN1; SMN2HTT
SCHEMBL7447683 0.98 ALOX12 (0.60) CYP2C19ALOX12CYP1A2SMN1; SMN2HTT
SCHEMBL30205633 0.98 ALOX12 (0.60) CYP2C19ALOX12CYP1A2SMN1; SMN2HTT
SCHEMBL11124152 0.98 ALOX12 (0.60) CYP2C19ALOX12CYP1A2SMN1; SMN2HTT
SCHEMBL10607875 0.98 ALOX12 (0.60) CYP2C19ALOX12CYP1A2SMN1; SMN2HTT
SCHEMBL1573818 0.98 ALOX12 (0.60) CYP2C19ALOX12CYP1A2SMN1; SMN2HTT
SCHEMBL31066872 0.98 ALOX12 (0.60) CYP2C19ALOX12CYP1A2SMN1; SMN2HTT
SCHEMBL31066860 0.98 ALOX12 (0.60) CYP2C19ALOX12CYP1A2SMN1; SMN2HTT
SCHEMBL10606557 0.98 ALOX12 (0.60) CYP2C19ALOX12CYP1A2SMN1; SMN2HTT
Phosphine SCHEMBL27777792 0.98 CYP2C19 (0.57) CYP2C19ALOX12CYP1A2SMN1; SMN2HTT

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 249 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
WO-2008059125-A2 COMPOSITION FOR COLOURING KERATINOUS MATERIAL USING A SUPRA-MOLECULAR COLOURING SYSTEM L'OREAL (FR) 2008-05-22 WO claimed
WO-2008039863-A2 COMPOSITION COMPRISING A MELANOCORTIN RECEPTOR (MCR) MODULATING AGENT ALONE OR IN COMBINATION WITH A SECOND NEUROGENIC AGENT FOR TREATING NERVOUS SYSTEM DISORDERS BRAINCELLS, INC. (US) 2008-04-03 WO claimed
WO-2008022467-A1 2-SUBSTITUTED AZAIN DOLES AND 2 SUBSTITUTED THIENOPYRROLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2008-02-28 WO claimed
US-20040010864-A1 Method for treating human keratin fibers with organomodified metallic particles L'OREAL (FR) 2004-01-22 US claimed
EP-0530524-B1 Method of producing 2-amino-3-nitro-5-halogenopyridine ICHIKAWA GOSEI KAGAKU KK (JP) 2003-02-05 EP claimed
WO-2002098377-A1 COSMETIC COMPOSITION FORMING AFTER APPLICATION A SUPRAMOLECULAR POLYMER L'OREAL (FR) 2002-12-12 WO claimed
EP-1221444-A1 FUSED IMIDAZOLE COMPOUNDS AND REMEDIES FOR DIABETES MELLITUS Eisai Co., Ltd. (JP) 2002-07-10 EP claimed
US-5998594-A CHROMOGENIC COMPOUND BEING CHARACTERIZED BY THE PROPERTY OF PRODUCING A REVERSIBLE COLOR CHANGE RESPONSIVE ON BINDING A TARGET SUBSTRATE TO SAID RECEPTOR. UNIVERSITY OF PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 1999-12-07 US claimed
US-5453512-A Bromination of acylaminopyridine with 2-acylaminopyridinium hydorbromide ICHIKAWA GOSEI CHEMICAL CO., LTD. (JP) 1995-09-26 US claimed
US-5290943-A Halogenation of pyridine compound ICHIKAWA GOSEI CHEMICAL CO., LTD. (JP) 1994-03-01 US claimed
EP-0530524-A1 Method of producing 2-amino-3-nitro-5-halogenopyridine ICHIKAWA GOSEI CHEMICAL CO., LTD. (JP) 1993-03-10 EP claimed
WO-1991017979-A1 PROCESS FOR THE PREPARATION OF 2-N-ACYLAMINOPYRIDINES AND 2-AMINOPYRIDINES FROM 5-OXOALKANENITRILE OXIMES DSM N.V. (NL) 1991-11-28 WO claimed
US-4914077-A GOOD HUE AND STABILITY EASTMAN KODAK COMPANY (US) 1990-04-03 US 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 (4 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-20100242188-A1 COMPOSITION FOR COLOURING KERATINOUS MATERIAL USING A SUPRA-MOLECULAR COLOURING SYSTEM KRT18, S100A6, IK CYP2C19 3627/4885ALOX12 3964/4885CYP1A2 3076/4885
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 CYP2C19 1153/4885ALOX12 2343/4885CYP1A2 3450/4885
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 CYP2C19 1153/4885ALOX12 2343/4885CYP1A2 3450/4885
US-20100247466-A1 COSMETIC COMPOSITION FORMING AFTER APPLICATION A SUPRAMOLECULAR POLYMER KRT18, CUTA, DSG1 CYP2C19 4728/4885ALOX12 4082/4885CYP1A2 4810/4885

“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.