SCHEMBL6400658

SCHEMBL6400658

CCCCCC1C[N]CC(CCCCC)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
ALDH1A1 P00352 1/20 0.38
EPHX1 P07099 1/20 0.35
ALOX5 P09917 1/20 0.34
NOS1 P29475 3/20 0.33
NOS2 P35228 3/20 0.33
NOS3 P29474 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.32
LSS P48449 2/20 0.31
PKM P14618 1/20 0.31
HCAR2 Q8TDS4 1/20 0.30
HTT P42858 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
SCHEMBL4859077 0.82 NOS3 (0.41) NOS1NOS2NOS3
SCHEMBL11158769 0.82 NOS3 (0.41) NOS1NOS2NOS3
SCHEMBL29363158 0.79 ALDH1A1 (0.50) CYP1A2ALDH1A1EPHX1ALOX5MEN1
SCHEMBL2733122 0.77 CYP1A2 (0.41) CYP1A2ALDH1A1EPHX1NOS1NOS2
SCHEMBL5371866 0.77 CYP1A2 (0.50) CYP1A2ALDH1A1EPHX1ALOX5MEN1
SCHEMBL4536346 0.76 EPHX1 (0.41) CYP1A2ALDH1A1EPHX1ALOX5MEN1
SCHEMBL19125262 0.75 CYP1A2 (0.42) CYP1A2ALDH1A1EPHX1ALOX5NOS1
SCHEMBL7471375 0.74 CYP1A2 (0.48) CYP1A2ALDH1A1EPHX1NOS1NOS2
SCHEMBL6396707 0.73 ALDH1A1 (0.44) CYP1A2ALDH1A1EPHX1ALOX5NOS1
SCHEMBL11667186 0.73 CYP1A2 (0.58) CYP1A2ALDH1A1EPHX1ALOX5LSS

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 25 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
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
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 1751/4885EPHX1 1787/4885

“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.