SCHEMBL4543645

SCHEMBL4543645

O=[N+]([O-])c1ccccc1C1=NCCN1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 1/20 0.54
▸ ADRA2B P18089 1/20 0.54
▸ ADRA2C P18825 1/20 0.54
▸ NISCH Q9Y2I1 10/20 0.54
▸ APOBEC3A P31941 1/20 0.48
▸ APOBEC3G Q9HC16 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ MAPT P10636 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL30163845 0.85 PDCD1LG2 (0.47) ADRA2AADRA2BADRA2CNISCHMAPT
SCHEMBL10651765 0.82 L3MBTL1 (0.48) ADRA2AADRA2BADRA2CNISCHAPOBEC3A
SCHEMBL31658929 0.79 GABRA1 (0.44) ADRA2AADRA2BADRA2CNISCHMAPT
SCHEMBL9579892 0.78 NISCH (0.81) NISCH
SCHEMBL4386672 0.76 NISCH (0.60) NISCHALDH1A1TDP1
SCHEMBL11161145 0.76 APOBEC3A (0.53) ADRA2AADRA2BADRA2CAPOBEC3AAPOBEC3G
SCHEMBL3360145 0.75 NISCH (0.50) ADRA2AADRA2BADRA2CNISCHMAPT
SCHEMBL11757670 0.73 GABRA1 (0.53) ADRA2AADRA2BADRA2CAPOBEC3AAPOBEC3G
SCHEMBL1287837 0.72 ALDH1A1 (0.74) ALDH1A1TDP1RAB9A
SCHEMBL30535903 0.72 ALDH1A1 (0.74) ALDH1A1TDP1RAB9A

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 11 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
EP-1417204-A1 ORTHO-HETEROCYCLIC SUBSTITUTED ARYL AMIDES FOR CONTROLLING INVERTEBRATE PESTS E. I. du Pont de Nemours and Company (US) 2004-05-12 — — EP disclosed
WO-2003016304-A1 ORTHO-HETEROCYCLIC SUBSTITUTED ARYL AMIDES FOR CONTROLLING INVERTEBRATE PESTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2003-02-27 — — WO disclosed
EP-0331507-B1 POLYVINYL CHLORIDE PLASTISOL COMPOSITION ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 1993-05-19 — — EP disclosed
US-4977201-A Blended with modified epoxy resin, blocked isocyanate, latent curing for resin as tackifier, automobile undercoatings ASAHI DENKA KOGYO K.K. (JP) 1990-12-11 — — US disclosed
EP-0331507-A1 Polyvinyl chloride plastisol composition ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 1989-09-06 — — EP disclosed
EP-0046446-A1 Polyazaheterocyclic compounds, process for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1982-02-24 — — 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 (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 ADRA2A 1486/4885ADRA2B 1694/4885ADRA2C 757/4885
US-20040242645-A1 Ortho-heterocyclic substituted aryl amides for controlling invertebrate pests AOC2, OLA1, AOC3 ADRA2A 1304/4885ADRA2B 1114/4885ADRA2C 628/4885

“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.

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