SCHEMBL2334760

SCHEMBL2334760

Cn1c(-c2cc(C(F)(F)F)ccn2)noc1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
PTGS2 P35354 2/20 0.38
PTGS1 P23219 1/20 0.37
SYK P43405 2/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
P2RX7 Q99572 1/20 0.35
ALDH1A1 P00352 3/20 0.35
PLAT P00750 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
ADRB1 P08588 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL2334759 0.84 NPSR1 (0.39) NPSR1NOS3NOS2PTGS2PTGS1
SCHEMBL2336317 0.81 NPSR1 (0.37) NPSR1NOS3NOS2SYKABL1
SCHEMBL2338354 0.81 NPSR1 (0.35) NPSR1NOS3NOS2SYKGRIN1
SCHEMBL2335764 0.81 NPSR1 (0.37) NPSR1NOS3NOS2SYKABL1
SCHEMBL2333905 0.80 NPSR1 (0.39) NPSR1NOS3NOS2SYKABL1
SCHEMBL2336622 0.79 ALDH1A1 (0.39) NPSR1NOS3NOS2SYKGRIN1
SCHEMBL2332470 0.78 NPSR1 (0.35) NPSR1NOS3NOS2GRIN1GRIN2B
SCHEMBL2332695 0.78 NPSR1 (0.40) NPSR1SYKABL1BCRP2RX7
SCHEMBL2335213 0.78 ALDH1A1 (0.36) NPSR1SYKABL1BCRALDH1A1
SCHEMBL2338895 0.77 GRIN1 (0.40) GRIN1GRIN2BP2RX7PLATHCRTR1

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.