SCHEMBL4386672

SCHEMBL4386672

Cc1cccc(C2=NCCN2)c1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NISCH Q9Y2I1 11/20 0.60
▸ ALDH1A1 P00352 2/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ TSHR P16473 1/20 0.45
▸ PKM P14618 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ PDCD1LG2 Q9BQ51 1/20 0.42
▸ CD274 Q9NZQ7 1/20 0.42
▸ HPGD P15428 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
SCHEMBL4395974 0.80 ALDH1A1 (0.46) NISCHALDH1A1TDP1TSHRPKM
SCHEMBL141600 0.80 ALDH1A1 (0.46) NISCHALDH1A1TDP1TSHRPKM
SCHEMBL1626317 0.76 NISCH (1.00) NISCH
SCHEMBL4543645 0.76 ADRA2A (0.54) NISCHALDH1A1TDP1
SCHEMBL11847292 0.76 ALDH1A1 (0.78) ALDH1A1TDP1TSHRPKMLMNA
SCHEMBL30163845 0.74 PDCD1LG2 (0.47) NISCHPDCD1LG2CD274
SCHEMBL4383292 0.74 NISCH (0.70) NISCHPDCD1LG2CD274
SCHEMBL10651765 0.71 L3MBTL1 (0.48) NISCHALDH1A1TDP1
Hydrochloric Acid SCHEMBL9654041 0.71 ADRA2A (0.46) NISCHALDH1A1TDP1TSHR
SCHEMBL4821629 0.71 NISCH (0.64) NISCHPDCD1LG2CD274

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-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

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 NISCH 53/4885ALDH1A1 1998/4885TDP1 3431/4885
US-20040242645-A1 Ortho-heterocyclic substituted aryl amides for controlling invertebrate pests AOC2, OLA1, AOC3 NISCH 17/4885ALDH1A1 1639/4885TDP1 2827/4885

“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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