SCHEMBL12439744

SCHEMBL12439744

N/C(=N\O)c1cc(-c2cccc(C(F)(F)F)c2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.45
KIF11 P52732 1/20 0.45
PARP1 P09874 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
SCN2A Q99250 1/20 0.40
MAOB P27338 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HRH1 P35367 1/20 0.40
HRH4 Q9H3N8 1/20 0.40

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
SCHEMBL1935591 1.00 KMO (0.45) KMOKIF11PARP1KDM4EHTR3E
SCHEMBL12446917 0.85 NOS3 (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2337914 0.85 NOS3 (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13847246 0.85 NOS3 (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1934201 0.81 KDR (0.46) KDM4EALDH1A1
SCHEMBL12439832 0.80 PLAU (0.56) KMOKDM4E
SCHEMBL1934343 0.80 PLAU (0.56) KMOKDM4E
SCHEMBL12514481 0.80 SCN9A (0.49) ALDH1A1MAPK1NPC1RAB9A
SCHEMBL1935319 0.80 CTSA (0.43)
SCHEMBL1934577 0.80 ALOX5AP (0.44) ALDH1A1MAPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178132-A1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-07-21 US disclosed
US-20110178132-A1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-07-21 US disclosed
EP-2332936-A1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL Sumitomo Chemical Company, Limited (JP) 2011-06-15 EP 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-20110178132-A1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL C5, PRDX1, PRDX4 KMO 632/4885KIF11 3762/4885PARP1 4379/4885

“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.