SCHEMBL2336418

SCHEMBL2336418

Cc1cc(OCC(F)(F)F)cc(C(N)=NO)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
AMD1 P17707 1/20 0.41
NPSR1 Q6W5P4 3/20 0.39
CYP2C9 P11712 2/20 0.35
CYP17A1 P05093 1/20 0.35
CYP2C19 P33261 1/20 0.35
GRM5 P41594 3/20 0.33
CYP1A2 P05177 1/20 0.33
CNR2 P34972 1/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
LMNA P02545 3/20 0.32
PAX8 Q06710 2/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 2/20 0.32
S1PR2 O95136 1/20 0.32
S1PR4 O95977 1/20 0.32
XBP1 P17861 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
SCHEMBL13028350 1.00 MAPT (0.41) MAPTALDH1A1AMD1NPSR1CYP2C9
SCHEMBL2335940 0.77 MAPT (0.40) MAPTALDH1A1NPSR1CYP2C9CYP17A1
SCHEMBL13028341 0.77 MAPT (0.40) MAPTALDH1A1NPSR1CYP2C9CYP17A1
SCHEMBL12446653 0.77 GRM5 (0.32) NPSR1GRM5
SCHEMBL2336770 0.77 GRM5 (0.32) NPSR1GRM5
SCHEMBL13028340 0.76 NPSR1 (0.40) MAPTALDH1A1NPSR1KMT2ALMNA
SCHEMBL2336771 0.76 NPSR1 (0.40) MAPTALDH1A1NPSR1KMT2ALMNA
SCHEMBL17394948 0.72 NPSR1 (0.38) MAPTALDH1A1NPSR1CYP2C9CYP17A1
SCHEMBL17394949 0.72 NPSR1 (0.38) MAPTALDH1A1NPSR1CYP2C9CYP17A1
SCHEMBL1178896 0.70 NOS3 (0.43) ALDH1A1CYP1A2MEN1KMT2ALMNA

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 MAPT 4441/4885ALDH1A1 2627/4885AMD1 2576/4885

“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.