SCHEMBL3190767

SCHEMBL3190767

C#CCOc1cc(C(=O)OCC)n(-c2ncccc2Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.39
PDE4B Q07343 3/20 0.39
HSD11B1 P28845 1/20 0.38
KDM4E B2RXH2 3/20 0.36
POLB P06746 2/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
PDE4A P27815 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
KCNH2 Q12809 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
JMJD6 Q6NYC1 1/20 0.35

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
SCHEMBL31060067 0.90 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2PDE4BHSD11B1KDM4E
SCHEMBL25702840 0.87 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2PDE4BHSD11B1KDM4E
SCHEMBL30234432 0.87 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2PDE4BHSD11B1KDM4E
SCHEMBL3177562 0.86 HIF1A (0.34) SMN1; SMN2KCNH2
SCHEMBL1199385 0.85 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2PDE4BKDM4ENPC1
SCHEMBL1762653 0.84 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2PDE4BHSD11B1KDM4E
SCHEMBL16014641 0.84 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2PDE4BHSD11B1KDM4E
SCHEMBL951462 0.83 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2PDE4BHSD11B1KDM4E
SCHEMBL1762446 0.83 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2PDE4BHSD11B1KDM4E
SCHEMBL29558577 0.83 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2PDE4BHSD11B1KDM4E

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
EP-1560820-B1 NOVEL ANTHRANILAMIDE INSECTICIDES DU PONT (US) 2010-05-26 EP disclosed
US-7666882-B2 1-(3-Chloro-2-pyridinyl)-N-[2,4-dichloro-6-[[(1-methylethyl)amino]carbonyl]phenyl]-3-(2-propynyloxy)-1H-pyrazole-5-carboxamide; controlling an invertebrate pest; less costly, less toxic, environmentally safer E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-02-23 US disclosed
US-20060014808-A1 Novel anthranilamide insecticides E. I. DU PONT DE NEMOURS AND COMPANY 2006-01-19 US disclosed
EP-1560820-A2 NOVEL ANTHRANILAMIDE INSECTICIDES E.I. du Pont de Nemours and Company (US) 2005-08-10 EP disclosed
WO-2004046129-A2 NOVEL ANTHRANILAMIDE INSECTICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-06-03 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 (1 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-20060014808-A1 Novel anthranilamide insecticides RTN4, ANTXR2, SCN4A ALDH1A1 2636/4885SMN1; SMN2 2585/4885PDE4B 414/4885

“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.