SCHEMBL1611233

SCHEMBL1611233

N#Cc1cc(C=O)ccc1-n1cnnn1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 8/20 0.54
ALDH1A1 P00352 6/20 0.38
KCNH2 Q12809 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 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
SCHEMBL1612060 0.83 KCNJ1 (0.38) KCNJ1ALDH1A1KCNH2KMT2AMEN1
SCHEMBL1612057 0.83 KCNJ1 (0.38) KCNJ1ALDH1A1KCNH2KMT2AMEN1
SCHEMBL5480877 0.78 NOTUM (0.49) KCNJ1ALDH1A1KCNH2KMT2AMEN1
SCHEMBL29792818 0.78 NOTUM (0.49) KCNJ1ALDH1A1KCNH2KMT2AMEN1
SCHEMBL1610377 0.77 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1KDM4E
SCHEMBL14321145 0.75 ALOX5AP (0.36) ALDH1A1KMT2AMEN1KDM4ETSHR
SCHEMBL19832891 0.75 KDM4E (0.33) ALDH1A1KMT2AMEN1KDM4E
SCHEMBL16122376 0.74 KCNJ1 (0.45) KCNJ1ALDH1A1KCNH2KMT2AMEN1
SCHEMBL6078473 0.74 NOTUM (0.51) KCNJ1ALDH1A1KCNH2KMT2AMEN1
SCHEMBL4926658 0.73 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1KDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069338-B1 INSECTICIDAL ISOXAZOLINES BAYER CROPSCIENCE AG (DE) 2012-11-28 EP disclosed
EP-2332937-A1 Insecticidal isoxazolines Bayer CropScience AG (DE) 2011-06-15 EP disclosed
EP-2330106-A1 Insecticidal isoxazolines Bayer CropScience AG (DE) 2011-06-08 EP disclosed
US-20110086886-A2 INSECTICIDAL ISOXAZOLINES BAYER CROPSCIENCE AG (DE) 2011-04-14 US disclosed
US-20100249191-A1 N-Methyl benzamide derivatives BAYER CROPSCIENCE SA (FR) 2010-09-30 US disclosed
WO-2009141096-A1 SUBSTITUTED SPIRO-ISOXAZOLINES BAYER CROPSCIENCE AG (DE) 2009-11-26 WO disclosed
EP-2069338-A1 INSECTICIDAL ISOXAZOLINES Bayer CropScience AG (DE) 2009-06-17 EP disclosed
WO-2008019760-A1 INSECTICIDAL ISOXAZOLINES BAYER CROPSCIENCE AG (DE) 2008-02-21 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-20110086886-A2 INSECTICIDAL ISOXAZOLINES HAX1, INA, CYCS KCNJ1 205/4885ALDH1A1 683/4885KCNH2 72/4885
US-20100249191-A1 N-Methyl benzamide derivatives GNMT, SCN1A, INA KCNJ1 241/4885ALDH1A1 691/4885KCNH2 88/4885

“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.