SCHEMBL2336622

SCHEMBL2336622

CCOCn1c(-c2cc(C(F)(F)F)ccn2)noc1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
MBOAT4 Q96T53 1/20 0.33
RAF1 P04049 3/20 0.33
PIM1 P11309 1/20 0.32
BRAF P15056 3/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
MAP3K12 Q12852 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32

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
SCHEMBL2336317 0.88 NPSR1 (0.37) ALDH1A1GAAL3MBTL1NPSR1MBOAT4
SCHEMBL2337073 0.85 FAAH (0.38) ALDH1A1MEN1KMT2ARAF1BRAF
SCHEMBL2339459 0.84 ALDH1A1 (0.40) ALDH1A1GAAL3MBTL1NPSR1MEN1
SCHEMBL2338291 0.83 ALDH1A1 (0.39) ALDH1A1GAAL3MBTL1NPSR1MEN1
SCHEMBL2336234 0.81 KMT2A (0.40) ALDH1A1GAAL3MBTL1NPSR1MEN1
SCHEMBL2339120 0.81 ALDH1A1 (0.43) ALDH1A1GAAL3MBTL1NPSR1NPC1
SCHEMBL2338781 0.81 ALDH1A1 (0.43) ALDH1A1GAAL3MBTL1NPSR1NPC1
SCHEMBL2340206 0.80 ALDH1A1 (0.47) ALDH1A1GAANPSR1NPC1RAB9A
SCHEMBL2338450 0.79 ALDH1A1 (0.41) ALDH1A1GAAL3MBTL1NPSR1MEN1
SCHEMBL2337569 0.79 ALDH1A1 (0.38) ALDH1A1GAAL3MBTL1NPSR1NPC1

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 ALDH1A1 2627/4885GAA 4130/4885L3MBTL1 1084/4885

“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.