SCHEMBL12977942

SCHEMBL12977942

CN(C(=O)c1ccc(C(F)(F)C(F)(F)C(F)(F)F)cc1)c1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 2/20 0.58
▸ TRPV1 Q8NER1 1/20 0.54
▸ NR1H3 Q13133 2/20 0.52
▸ POLQ O75417 1/20 0.47
▸ NR1H2 P55055 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ GPBAR1 Q8TDU6 3/20 0.45
▸ HSD11B1 P28845 2/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ EPAS1 Q99814 1/20 0.42
▸ GRM1 Q13255 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39

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
SCHEMBL791972 0.84 MLYCD (0.52) MLYCDTRPV1NR1H3POLQKDM4E
SCHEMBL12978252 0.83 MLYCD (0.56) MLYCDTRPV1NR1H3POLQNR1H2
SCHEMBL12977968 0.79 TRPV1 (0.55) MLYCDTRPV1NR1H3POLQNR1H2
SCHEMBL12978272 0.79 TRPV1 (0.55) MLYCDTRPV1NR1H3KDM4EKMT2A
SCHEMBL6237453 0.78 KDM4E (0.68) MLYCDTRPV1NR1H3NR1H2KDM4E
SCHEMBL12977958 0.78 TRPV1 (0.54) MLYCDTRPV1NR1H3POLQKDM4E
SCHEMBL12978248 0.78 MLYCD (0.55) MLYCDTRPV1NR1H3POLQNR1H2
SCHEMBL96022 0.77 TRPV1 (0.62) MLYCDTRPV1NR1H3POLQKDM4E
SCHEMBL7377948 0.77 TRPV1 (0.62) MLYCDTRPV1NR1H3KDM4EKMT2A
SCHEMBL12978265 0.77 GPBAR1 (0.61) MLYCDTRPV1POLQKDM4EKMT2A

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-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 — — US disclosed
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 — — 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-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR MLYCD 654/4885TRPV1 2769/4885NR1H3 4005/4885

“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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