SCHEMBL10089990

SCHEMBL10089990

Cc1cc(C#N)cc(C(=O)NCc2ccc(Cl)cc2Cl)c1NC(=O)c1cc(Cn2nnc(C(F)(F)F)n2)nn1-c1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.42
P2RX7 Q99572 1/20 0.34
CNR2 P34972 2/20 0.33
TP53 P04637 1/20 0.33
IDH1 O75874 1/20 0.33
EPHX2 P34913 1/20 0.33
KLKB1 P03952 1/20 0.33
SLC2A1 P11166 1/20 0.32
SLC2A3 P11169 1/20 0.32
SLC2A4 P14672 1/20 0.32
PPARG P37231 1/20 0.32

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
SCHEMBL10089879 0.91 CNR1 (0.41) CNR1CNR2IDH1SLC2A1SLC2A3
SCHEMBL10089878 0.91 IDH1 (0.39) CNR1CNR2IDH1SLC2A1SLC2A3
SCHEMBL13085283 0.90 SLC2A1 (0.35) CNR1IDH1SLC2A1SLC2A3SLC2A4
SCHEMBL13085547 0.90 SLC2A1 (0.35) CNR1IDH1SLC2A1SLC2A3SLC2A4
SCHEMBL10083881 0.90 SLC2A1 (0.35) CNR1IDH1SLC2A1SLC2A3SLC2A4
SCHEMBL10089936 0.90 IDH1 (0.39) CNR1IDH1KLKB1SLC2A1SLC2A3
SCHEMBL13085616 0.90 SLC2A1 (0.34) CNR1P2RX7IDH1SLC2A1SLC2A3
SCHEMBL10090050 0.90 HSD17B13 (0.36) P2RX7EPHX2SLC2A1SLC2A3SLC2A4
SCHEMBL10090022 0.89 IDH1 (0.37) CNR1CNR2IDH1SLC2A1SLC2A3
SCHEMBL10089906 0.89 GPR6 (0.34) CNR1P2RX7IDH1EPHX2SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791143-B2 Anthranilic diamide derivatives having cyclic side-chains BAYER CROPSCIENCE AG (DE) 2014-07-29 US disclosed
US-20120010249-A1 Anthranilic diamide derivatives having cyclic side-chains BAYER CROPSCIENCE AG (DE) 2012-01-12 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 (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-20120010249-A1 Anthranilic diamide derivatives having cyclic side-chains DDT, ADCY1, ANTXR2 CNR1 984/4885P2RX7 1165/4885CNR2 1011/4885

“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.