SCHEMBL4544209

SCHEMBL4544209

O=C1NCCC(c2ccccc2[N+](=O)[O-])N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
KMT2A Q03164 8/20 0.43
MEN1 O00255 7/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 4/20 0.41
FGB P02675 1/20 0.41
S100A4 P26447 1/20 0.41
KEAP1 Q14145 1/20 0.41
PLEC Q15149 1/20 0.41
NFE2L2 Q16236 1/20 0.41
GPR68 Q15743 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
KDM4A O75164 1/20 0.38
TDP2 O95551 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38

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
SCHEMBL5202115 0.73 KMT2A (0.44) TDP1KMT2AMEN1MAPTKDM4E
SCHEMBL12403313 0.72 KMT2A (0.42) TDP1KMT2AMEN1MAPTKDM4E
SCHEMBL6974296 0.71 TDP1 (0.43) TDP1KMT2AMEN1MAPTKDM4E
SCHEMBL17117210 0.71 SMN1; SMN2 (0.41) KMT2AMAPTKDM4EGAAALDH1A1
SCHEMBL8748376 0.70 HTR2C (0.51) KMT2AMEN1MAPTKDM4EL3MBTL1
SCHEMBL31525035 0.70 HSD17B10 (0.47) TDP1KMT2AMEN1MAPTKDM4E
SCHEMBL3253975 0.70 HSD17B10 (0.47) TDP1KMT2AMEN1MAPTKDM4E
SCHEMBL10549056 0.70 TP53 (0.43) TDP1KMT2AMEN1MAPTKDM4E
SCHEMBL5674530 0.70 KMT2A (0.41) TDP1KMT2AMEN1MAPTKDM4E
SCHEMBL227751 0.68 SLC6A2 (0.47) TDP1KMT2AMEN1MAPTKDM4E

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-7629463-B2 Ortho-heterocyclic substituted aryl amides for controlling invertebrate pests E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-12-08 US disclosed
US-20080132524-A1 Ortho-heterocyclic substituted aryl amides for controlling invertebrate pests CLARK DAVID ALAN 2008-06-05 US disclosed
US-7375232-B2 Ortho-heterocyclic substituted aryl amides for controlling invertebrate pests E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-05-20 US disclosed
EP-1417204-B1 ORTHO-HETEROCYCLIC SUBSTITUTED ARYL AMIDES FOR CONTROLLING INVERTEBRATE PESTS DU PONT (US) 2006-01-18 EP disclosed
US-20040242645-A1 Ortho-heterocyclic substituted aryl amides for controlling invertebrate pests E. I. DU PONT DE NEMOURS AND COMPANY 2004-12-02 US 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 (2 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-20080132524-A1 Ortho-heterocyclic substituted aryl amides for controlling invertebrate pests AOC2, DDT, CBR3 TDP1 3431/4885KMT2A 1754/4885MEN1 3976/4885
US-20040242645-A1 Ortho-heterocyclic substituted aryl amides for controlling invertebrate pests AOC2, OLA1, AOC3 TDP1 2827/4885KMT2A 2223/4885MEN1 3896/4885

“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.