SCHEMBL2611136

SCHEMBL2611136

Cn1nnnc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.52
ABCC8 Q09428 1/20 0.52
KCNJ11 Q14654 1/20 0.52
KCNJ8 Q15842 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.47
KLRK1 P26718 1/20 0.43
MICA Q29983 1/20 0.43
RAET1L Q5VY80 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HTT P42858 2/20 0.43
KIF11 P52732 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL13028853 0.79 SMN1; SMN2 (0.52) ABCC9ABCC8KCNJ11KCNJ8SMN1; SMN2
SCHEMBL5966721 0.79 SMN1; SMN2 (0.55) ABCC9ABCC8KCNJ11KCNJ8SMN1; SMN2
SCHEMBL25694655 0.78 KIF11 (0.43) ABCC9ABCC8KCNJ11KCNJ8SIGMAR1
SCHEMBL29454964 0.78 KDM4E (0.44) ABCC9ABCC8KCNJ11KCNJ8SMN1; SMN2
SCHEMBL22322904 0.77 SMN1; SMN2 (0.53) ABCC9ABCC8KCNJ11KCNJ8SMN1; SMN2
SCHEMBL1070786 0.77 SMN1; SMN2 (0.50) ABCC9ABCC8KCNJ11KCNJ8SMN1; SMN2
SCHEMBL2009716 0.76 CA12 (0.43) HTTKIF11KDM4EALDH1A1LMNA
SCHEMBL13225982 0.76 SMN1; SMN2 (0.49) ABCC9ABCC8KCNJ11KCNJ8SMN1; SMN2
SCHEMBL420682 0.76 SMN1; SMN2 (0.52) ABCC9ABCC8KCNJ11KCNJ8SMN1; SMN2
SCHEMBL5046816 0.76 SMN1; SMN2 (0.52) ABCC9ABCC8KCNJ11KCNJ8SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946236-B2 Anthranilic acid diamide derivative with hetero-aromatic and hetero-cyclic substituents BAYER CROPSCIENCE AG (DE) 2015-02-03 US disclosed
US-20120094830-A1 ANTHRANILIC ACID DIAMIDE DERIVATIVE WITH HETERO-AROMATIC AND HETERO-CYCLIC SUBSTITUENTS BAYER CROPSCIENCE AG (DE) 2012-04-19 US disclosed
US-8101550-B2 Anthranilic acid diamide derivative with hetero-aromatic and hetero-cyclic substituents BAYER CROPSCIENCE AG (DE) 2012-01-24 US disclosed
US-20100029478-A1 ANTHRANILIC ACID DIAMIDE DERIVATIVE WITH HETERO-AROMATIC AND HETERO-CYCLIC SUBSTITUENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-02-04 US 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-20100029478-A1 ANTHRANILIC ACID DIAMIDE DERIVATIVE WITH HETERO-AROMATIC AND HETERO-CYCLIC SUBSTITUENTS DDT, ANTXR2, QDPR ABCC9 882/4885ABCC8 1569/4885KCNJ11 2912/4885
US-20120094830-A1 ANTHRANILIC ACID DIAMIDE DERIVATIVE WITH HETERO-AROMATIC AND HETERO-CYCLIC SUBSTITUENTS DDT, ANTXR2, QDPR ABCC9 882/4885ABCC8 1569/4885KCNJ11 2912/4885

“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.