SCHEMBL2335536

SCHEMBL2335536

NC(=NO)c1cc(C(F)(F)F)cc(C2CC2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.37
CBLB Q13191 1/20 0.35
PTPN5 P54829 1/20 0.35
TACR1 P25103 5/20 0.33
SLC6A4 P31645 5/20 0.33
KCNH2 Q12809 5/20 0.33
HPGD P15428 4/20 0.33
KMT2A Q03164 3/20 0.33
GAA P10253 3/20 0.33
MEN1 O00255 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
CDC7 O00311 1/20 0.31
DBF4 Q9UBU7 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL13028339 1.00 NPSR1 (0.37) NPSR1CBLBPTPN5TACR1SLC6A4
SCHEMBL13847138 0.82 CBLB (0.36) CBLBPTPN5TACR1SLC6A4KCNH2
SCHEMBL13847191 0.76 NPSR1 (0.38) NPSR1KMT2AGAAMAPK1ALDH1A1
SCHEMBL2336288 0.76 NPSR1 (0.38) NPSR1KMT2AGAAMAPK1ALDH1A1
SCHEMBL13028328 0.76 NPSR1 (0.38) NPSR1KMT2AGAAMAPK1ALDH1A1
SCHEMBL2336771 0.75 NPSR1 (0.40) NPSR1KMT2AGAAALDH1A1LMNA
SCHEMBL2335188 0.75 NPSR1 (0.38) NPSR1CBLBHPGDKMT2AGAA
SCHEMBL13028340 0.75 NPSR1 (0.40) NPSR1KMT2AGAAALDH1A1LMNA
SCHEMBL602010 0.73 KHK (0.36) KMT2AMEN1MAPK1
SCHEMBL10223585 0.73 KHK (0.36) KMT2AMEN1MAPK1

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 NPSR1 1849/4885CBLB 3158/4885PTPN5 822/4885

“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.