SCHEMBL3128684

SCHEMBL3128684

O=[N+]([O-])c1ccc2c(c1)C1CCC2C1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.73
CHRNA3 P32297 4/20 0.73
HSP90AA1 P07900 1/20 0.53
TSHR P16473 3/20 0.47
LMNA P02545 1/20 0.47
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47
NOS3 P29474 2/20 0.43
NOS1 P29475 2/20 0.43
NOS2 P35228 2/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
KDM4E B2RXH2 1/20 0.42
SLC18A3 Q16572 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HIF1A Q16665 1/20 0.41
PTPRC P08575 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
SCHEMBL14411431 0.93 CHRNB4 (0.69) CHRNB4CHRNA3HSP90AA1TSHRLMNA
SCHEMBL28092025 0.92 CHRNB4 (0.67) CHRNB4CHRNA3HSP90AA1TSHRLMNA
SCHEMBL2062764 0.84 CHRNB4 (1.00) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL5769693 0.84 CHRNB4 (0.82) CHRNB4CHRNA3HSP90AA1TSHRLMNA
SCHEMBL29761230 0.84 CHRNB4 (1.00) CHRNB4CHRNA3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL6392984 0.83 CHRNB4 (0.82) CHRNB4CHRNA3HSP90AA1TSHRLMNA
Hydrochloric Acid SCHEMBL4405952 0.83 CHRNB4 (1.00) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2062545 0.79 CHRNB4 (0.60) CHRNB4CHRNA3HSP90AA1LMNACHRNB2
SCHEMBL2060863 0.79 CHRNB4 (0.52) CHRNB4CHRNA3HSP90AA1LMNANOS3
SCHEMBL2061308 0.78 CHRNB4 (0.58) CHRNB4CHRNA3HSP90AA1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207207-B2 Heterocyclic a amide derivatives useful as microbiocides SYNGENTA CROP PROTECTION LLC (US) 2012-06-26 US disclosed
US-8183416-B2 Heterocyclic amide derivatives useful as microbiocides SYNGENTA CROP PROTECTION, INC. (US) 2012-05-22 US disclosed
EP-1940813-B1 HETEROCYCLIC AMIDE DERIVATIVES USEFUL AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-11-24 EP disclosed
US-20100204482-A1 HETEROCYCLIC AMIDE DERIVATIVES USEFUL AS MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-08-12 US disclosed
US-20100204287-A1 HETEROCYCLIC AMIDE DERIVATIVES USEFUL AS MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-08-12 US disclosed
EP-1940813-A1 HETEROCYCLIC AMIDE DERIVATIVES USEFUL AS MICROBIOCIDES Syngeta Participations AG (CH) 2008-07-09 EP disclosed
WO-2007048556-A1 HETEROCYCLIC AMIDE DERIVATIVES USEFUL AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2007-05-03 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 (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-20100204482-A1 HETEROCYCLIC AMIDE DERIVATIVES USEFUL AS MICROBIOCIDES CBR3, CBR1, CYP8B1 CHRNB4 1695/4885CHRNA3 1945/4885HSP90AA1 1355/4885
US-20100204287-A1 HETEROCYCLIC AMIDE DERIVATIVES USEFUL AS MICROBIOCIDES CBR3, CBR1, CYP8B1 CHRNB4 1957/4885CHRNA3 2086/4885HSP90AA1 1177/4885

“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.