SCHEMBL2331747

SCHEMBL2331747

NC(=NO)c1cc(C(F)(F)C(F)(F)F)ccn1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
KDM1A O60341 2/20 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
SCHEMBL13028395 1.00 NOS3 (0.36) NOS3NOS2NPSR1TDP1KDM1A
SCHEMBL12446917 0.87 NOS3 (0.50) NOS3NOS2NPSR1TDP1
SCHEMBL13847246 0.87 NOS3 (0.50) NOS3NOS2NPSR1TDP1
SCHEMBL2337914 0.87 NOS3 (0.50) NOS3NOS2NPSR1TDP1
SCHEMBL2341667 0.78 NPSR1 (0.36) NPSR1
SCHEMBL13028404 0.78 NPSR1 (0.36) NPSR1
SCHEMBL13028387 0.73 LOXL2 (0.43) NOS3NOS2NPSR1TDP1KDM1A
SCHEMBL2332362 0.73 LOXL2 (0.43) NOS3NOS2NPSR1TDP1KDM1A
SCHEMBL12439744 0.73 KMO (0.45)
SCHEMBL1935591 0.73 KMO (0.45)

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 5 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
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
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 NOS3 1904/4885NOS2 3201/4885NPSR1 1849/4885

“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.