SCHEMBL2332573

SCHEMBL2332573

NC(=NO)c1nccc(C(F)(F)F)c1F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CNR2 P34972 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ASPH Q12797 1/20 0.32
KDM8 Q8N371 1/20 0.32
NR3C2 P08235 1/20 0.32
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL6454002 0.78 GAA (0.48) NPSR1GAANPC1RAB9ACNR2
SCHEMBL20917011 0.76 KDM4E (0.33) NPSR1KDM4EASPHKDM8
SCHEMBL29877707 0.74 KDM4E (0.59) NPSR1CNR2KDM4EASPHKDM8
SCHEMBL26075207 0.74 KDM4E (0.59) NPSR1CNR2KDM4EASPHKDM8
SCHEMBL12439758 0.73 MPL (0.42) GAANPC1RAB9ATDP1
SCHEMBL1935769 0.73 MPL (0.42) GAANPC1RAB9ATDP1
SCHEMBL2508125 0.70 KIF11 (0.34) CNR2TDP1KDM4EASPHKDM8
SCHEMBL31620992 0.70 KIF11 (0.34) CNR2TDP1KDM4EASPHKDM8
SCHEMBL30356572 0.69 NOS3 (0.41) GAANOS3NOS2
SCHEMBL5222559 0.68 ADRA2A (0.37) NPSR1GAANPC1RAB9AKDM4E

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 1849/4885GAA 4130/4885NPC1 4039/4885

“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.