SCHEMBL3284688

SCHEMBL3284688

CCOC(=O)C(C)(C)Oc1ccc(OCCNc2nn(CCCC3CCCCC3)c(=O)n(CCCC3CCCCC3)c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
ABCB11 O95342 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
HTR2A P28223 1/20 0.36
PMP22 Q01453 1/20 0.36
MAPT P10636 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
BRD4 O60885 2/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 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
SCHEMBL3845317 0.91 PPARA (0.49) PPARAPPARGPPARDBRD4MEN1
SCHEMBL3284511 0.87 PPARA (0.39) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL3285150 0.86 PPARA (0.44) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL3287514 0.86 PPARA (0.38) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL3845275 0.85 PPARG (0.42) PPARAPPARGPPARDRXFP1BRD4
SCHEMBL3286019 0.81 PPARA (0.38) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL3284169 0.80 PPARA (0.40) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL3285407 0.79 PPARA (0.41) PPARAPPARGABCB11CYP1A2CYP3A4
SCHEMBL3292828 0.78 PPARA (0.40) PPARAPPARGPPARDABCB11CYP1A2
SCHEMBL3841493 0.78 PPARA (0.47) PPARAPPARGPPARD

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713971-B2 1,2,4-triazine derivatives, preparation and use thereof in human therapy PIERRE FABRE MEDICAMENT (FR) 2010-05-11 US claimed
EP-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 EP claimed
US-20080167313-A1 1,2,4-Triazine Derivatives, Preparation and Use Thereof in Human Therapy PIERRE FABRE MEDICAMENT (FR) 2008-07-10 US claimed
US-7713971-B2 1,2,4-triazine derivatives, preparation and use thereof in human therapy PIERRE FABRE MEDICAMENT (FR) 2010-05-11 US disclosed
US-7713971-B2 1,2,4-triazine derivatives, preparation and use thereof in human therapy PIERRE FABRE MEDICAMENT (FR) 2010-05-11 US disclosed
US-7713971-B2 1,2,4-triazine derivatives, preparation and use thereof in human therapy PIERRE FABRE MEDICAMENT (FR) 2010-05-11 US disclosed
US-20080167313-A1 1,2,4-Triazine Derivatives, Preparation and Use Thereof in Human Therapy PIERRE FABRE MEDICAMENT (FR) 2008-07-10 US disclosed
US-20080167313-A1 1,2,4-Triazine Derivatives, Preparation and Use Thereof in Human Therapy PIERRE FABRE MEDICAMENT (FR) 2008-07-10 US disclosed
US-20080167313-A1 1,2,4-Triazine Derivatives, Preparation and Use Thereof in Human Therapy PIERRE FABRE MEDICAMENT (FR) 2008-07-10 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-20080167313-A1 1,2,4-Triazine Derivatives, Preparation and Use Thereof in Human Therapy CBR3, NOX3, RTN3 PPARA 3384/4885PPARG 2530/4885PPARD 2811/4885

“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.