SCHEMBL6400664

SCHEMBL6400664

CCCCCC1CNCC(CCCCC)C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
ALDH1A1 P00352 2/20 0.38
GBA1 P04062 5/20 0.37
SPHK1 Q9NYA1 2/20 0.36
GUSB P08236 1/20 0.36
EPHX1 P07099 1/20 0.35
ALOX5 P09917 1/20 0.34
GLB1 P16278 4/20 0.34
GBA2 Q9HCG7 2/20 0.34
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
S1PR3 Q99500 1/20 0.33

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
SCHEMBL14256046 0.94 CYP1A2 (0.35) CYP1A2ALDH1A1GBA1SPHK1GUSB
SCHEMBL7569033 0.90
SCHEMBL21011949 0.88 ALDH1A1 (0.44) CYP1A2ALDH1A1GBA1SPHK1GUSB
SCHEMBL22115680 0.86 ALDH1A1 (0.36) CYP1A2ALDH1A1GBA1SPHK1GUSB
SCHEMBL4997191 0.86 GBA1 (0.40) GBA1SPHK1GUSBGLB1GBA2
SCHEMBL4859080 0.82 GBA1 (0.32) GBA1
SCHEMBL10642680 0.82
SCHEMBL29363158 0.79 ALDH1A1 (0.50) CYP1A2ALDH1A1GBA1SPHK1EPHX1
SCHEMBL9830506 0.79 ALDH1A1 (0.41) CYP1A2ALDH1A1GBA1SPHK1GUSB
SCHEMBL19090078 0.79 GLB1 (0.41) CYP1A2ALDH1A1GBA1SPHK1GUSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0494005-B1 Multicomponent agent or kit for the preparation of the sulphoconjugated forms of pyridino-, pyrimidino- or triazino-N-oxyde compounds and method of application thereof OREAL (FR) 1997-02-05 EP claimed
US-5360804-A STABILITY L'OREAL (FR) 1994-11-01 US claimed
EP-0494005-A1 Multicomponent agent or kit for the preparation of the sulphoconjugated forms of pyridino-, pyrimidino- or triazino-N-oxyde compounds and method of application thereof L'OREAL (FR) 1992-07-08 EP claimed
US-20050049232-A1 Composition LINDAU PAR (SE) 2005-03-03 US disclosed
EP-1463483-A1 NEW COMPOSITION Ponsus Pharma AB (SE) 2004-10-06 EP disclosed
WO-2003055454-A1 NEW COMPOSITION PONSUS PHARMA AB (SE) 2003-07-10 WO disclosed
EP-0494005-B1 Multicomponent agent or kit for the preparation of the sulphoconjugated forms of pyridino-, pyrimidino- or triazino-N-oxyde compounds and method of application thereof OREAL (FR) 1997-02-05 EP disclosed
US-5360804-A STABILITY L'OREAL (FR) 1994-11-01 US disclosed
EP-0494005-A1 Multicomponent agent or kit for the preparation of the sulphoconjugated forms of pyridino-, pyrimidino- or triazino-N-oxyde compounds and method of application thereof L'OREAL (FR) 1992-07-08 EP disclosed
US-4393065-A INCREASED PRODUCTIVITY OF BY-PRODUCTS BY INCLUSION OF PYRIMIDINE COMPOUNDS THE UPJOHN COMPANY (US) 1983-07-12 US disclosed
US-4316901-A Animal feed and process THE UPJOHN COMPANY (US) 1982-02-23 US disclosed
US-4308271-A PYRIMIDINE OXIDE DERIVATIVES TO INCREASE PRODUCTION THE UPJOHN COMPANY (US) 1981-12-29 US disclosed
US-4307093-A INCREASING PRODUCTION USING OXATRIAZINES THE UPJOHN COMPANY (US) 1981-12-22 US disclosed
US-4282228-A Animal feed and process THE UPJOHN COMPANY (US) 1981-08-04 US disclosed
US-4122264-A Pyridine containing morpholines THE UPJOHN COMPANY (US) 1978-10-24 US disclosed
US-4115396-A HYPOTENSIVE AGENTS THE UPJOHN COMPANY (US) 1978-09-19 US disclosed
US-4089672-A HERBICIDES THE UPJOHN COMPANY (US) 1978-05-16 US disclosed
US-4084955-A 1-CARBOXYALKYL-DI- AND TRIHALOPYRAZOLES, HERBICIDES THE UPJOHN COMPANY (US) 1978-04-18 US disclosed
US-4067874-A Novel pyridine 1-oxides THE UPJOHN COMPANY (US) 1978-01-10 US disclosed
US-3995035-A 6-Amino-2-lower-alkyl-4-nitropyridine N-oxide compositions and coccidiostat process THE UPJOHN COMPANY (US) 1976-11-30 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 (1 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-20050049232-A1 Composition CUTA, LIPG, LIPA CYP1A2 582/4885ALDH1A1 1751/4885GBA1 2752/4885

“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.