SCHEMBL4395974

SCHEMBL4395974

Cc1cccc(C2=NC(=O)CCN2)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ TSHR P16473 4/20 0.42
▸ PARP10 Q53GL7 2/20 0.41
▸ PARP11 Q9NR21 2/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ PKM P14618 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP3A4 P08684 1/20 0.39
▸ HPGD P15428 3/20 0.38
▸ NISCH Q9Y2I1 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ MGAM O43451 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SI P14410 1/20 0.34
▸ MGAM2 Q2M2H8 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL4386672 0.80 NISCH (0.60) ALDH1A1TDP1TSHRPKMLMNA
SCHEMBL5780405 0.78 PARP1 (0.45) ALDH1A1TSHRPARP10PARP11PARP1
SCHEMBL141600 0.76 ALDH1A1 (0.46) ALDH1A1TDP1TSHRPARP10PARP11
SCHEMBL11847292 0.73 ALDH1A1 (0.78) ALDH1A1TDP1TSHRPKMLMNA
SCHEMBL635089 0.67 ALDH1A1 (1.00) ALDH1A1TDP1TSHRLMNACYP3A4
SCHEMBL4389459 0.67 ALDH1A1 (0.51) ALDH1A1TDP1TSHRPKMLMNA
SCHEMBL7814268 0.66 ALDH1A1 (0.64) ALDH1A1TDP1TSHRPKMLMNA
SCHEMBL28521563 0.65 ALDH1A1 (0.95) ALDH1A1TDP1TSHRPKMLMNA
SCHEMBL3535923 0.65 ALDH1A1 (0.58) ALDH1A1TDP1TSHRPKMLMNA
SCHEMBL6609445 0.65 ALDH1A1 (0.53) ALDH1A1TDP1TSHRPKMLMNA

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 ALDH1A1 1998/4885TDP1 3431/4885TSHR 1064/4885
US-20040242645-A1 Ortho-heterocyclic substituted aryl amides for controlling invertebrate pests AOC2, OLA1, AOC3 ALDH1A1 1639/4885TDP1 2827/4885TSHR 2655/4885

“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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