SCHEMBL2332470

SCHEMBL2332470

N#CCn1c(-c2cc(C(F)(F)F)ccn2)noc1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.35
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
USP30 Q70CQ3 1/20 0.32
CTSK P43235 5/20 0.32
MAP3K12 Q12852 3/20 0.32
PLAT P00750 1/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
FAAH O00519 1/20 0.31
CES1 P23141 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NOTUM Q6P988 1/20 0.31
TLR7 Q9NYK1 1/20 0.31

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
SCHEMBL2338354 0.81 NPSR1 (0.35) NPSR1NOS3NOS2MAP3K12PLAT
SCHEMBL2336317 0.81 NPSR1 (0.37) NPSR1NOS3NOS2PLATGRIN1
SCHEMBL2338895 0.80 GRIN1 (0.40) PLATGRIN1GRIN2BHCRTR1HCRTR2
SCHEMBL2341812 0.80 ALDH1A1 (0.49) NPSR1CTSKGRIN1GRIN2BCYP2D6
SCHEMBL2336622 0.79 ALDH1A1 (0.39) NPSR1NOS3NOS2MAP3K12PLAT
SCHEMBL2334760 0.78 NPSR1 (0.42) NPSR1NOS3NOS2PLATGRIN1
SCHEMBL2339459 0.77 ALDH1A1 (0.40) NPSR1FAAHCES1ALDH1A1GAA
SCHEMBL2334759 0.77 NPSR1 (0.39) NPSR1NOS3NOS2PLATFAAH
SCHEMBL2339120 0.76 ALDH1A1 (0.43) NPSR1CYP3A4CYP2C19FAAHCES1
SCHEMBL2338291 0.76 ALDH1A1 (0.39) NPSR1FAAHCES1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318776-B2 Pyridine compound, pesticidal composition and method of controlling pests SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-27 US disclosed
US-8318776-B2 Pyridine compound, pesticidal composition and method of controlling pests SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-27 US disclosed
EP-2215086-B1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST SUMITOMO CHEMICAL CO (JP) 2011-08-24 EP disclosed
US-20100286148-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-11 US disclosed
US-20100286148-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-11 US disclosed
EP-2215086-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST Sumitomo Chemical Company, Limited (JP) 2010-08-11 EP disclosed
WO-2009066786-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-28 WO 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-20100286148-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST C5, PRDX1, PLPBP NPSR1 1849/4885NOS3 1904/4885NOS2 3201/4885

“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.