SCHEMBL6403085

SCHEMBL6403085

CCCCC1CCC[N]CCC1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.67
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
SIGMAR1 Q99720 3/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL9004358 0.87 CYP1A2 (0.56) CYP1A2LMNAMAPK1HTTNOS1
SCHEMBL3962258 0.86 CYP1A2 (0.58) CYP1A2LMNAMAPK1HTTNOS1
SCHEMBL74183 0.83
SCHEMBL1193058 0.83
SCHEMBL4860255 0.82 CYP1A2 (0.43) CYP1A2NOS1NOS2
SCHEMBL7471375 0.81 CYP1A2 (0.48) CYP1A2LMNAMAPK1HTTNOS1
SCHEMBL25389971 0.80 CYP1A2 (1.00) CYP1A2LMNAMAPK1HTTNOS1
Butylcyclohexane SCHEMBL2429501 0.80 CYP1A2 (1.00) CYP1A2LMNAMAPK1HTTNOS1
Ammonia Solution, Strong SCHEMBL6351644 0.80
SCHEMBL7732902 0.80 CYP1A2 (1.00) CYP1A2LMNAMAPK1HTTNOS1

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 19 patents. 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
EP-0187854-A4 SUBSTITUTED PYRIMIDINE OXIDES USEFUL FOR HAIR GROWTH PROMOTION. BAZZANO GAIL S 1987-01-22 EP disclosed
EP-0187854-A1 SUBSTITUTED PYRIMIDINE OXIDES USEFUL FOR HAIR GROWTH PROMOTION BAZZANO, Gail S (US) 1986-07-23 EP disclosed
WO-1986000616-A1 SUBSTITUTED PYRIMIDINE OXIDES USEFUL FOR HAIR GROWTH PROMOTION BAZZANO GAIL SANSONE 1986-01-30 WO 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-4315930-A A DIAMINO-TRIAZINE-3-OXIDE THE UPJOHN COMPANY (US) 1982-02-16 US disclosed
EP-0042669-A2 Compounds and compositions for use in animal feeds THE UPJOHN COMPANY (US) 1981-12-30 EP 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

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 582/4885LMNA 212/4885MAPK1 2907/4885

“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.