SCHEMBL23213100

SCHEMBL23213100

CCN(C)C(=O)c1cc[c]nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.38
NAMPT P43490 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.35
PDK2 Q15119 1/20 0.35
KDM5A P29375 1/20 0.35
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
ESRRG P62508 1/20 0.33
HCAR3 P49019 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
OPRD1 P41143 2/20 0.32
KCNH2 Q12809 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ALOX5 P09917 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 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
SCHEMBL4354040 0.85 HDAC4 (0.41) HDAC4ESRRG
SCHEMBL23036843 0.85 HPGD (0.45) KMT2AHPGDTDP1OPRD1MEN1
SCHEMBL188973 0.82 ALDH1A1 (0.41) HDAC4KMT2AHTTHRH3HPGD
SCHEMBL2345575 0.81 BRD4 (0.37) KMT2AESRRGHPGD
SCHEMBL23213275 0.80 MLYCD (0.40) KMT2A
SCHEMBL2902770 0.77 HDAC4 (0.42) HDAC4NAMPTTRPM8PDK2KMT2A
SCHEMBL29220540 0.77 MLYCD (0.42) HDAC4TRPM8KMT2AHPGDTDP1
SCHEMBL20812007 0.75 HDAC1 (0.50) HDAC4NAMPTPDK2KMT2AHRH3
SCHEMBL23213117 0.74 POLB (0.42) PDK2KMT2AHPGDALOX5PTGS1
SCHEMBL14518464 0.73 HDAC4 (0.51) HDAC4NAMPTPDK2KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115551839-B Heteroaryl-triazole compounds as pesticides 拜耳公司 2024-06-04 CN claimed
US-20230148601-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-05-18 US claimed
US-20230028441-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES ELANCO ANIMAL HEALTH GMBH (DE) 2023-01-26 US claimed
EP-4107151-A1 HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES Bayer Aktiengesellschaft (DE) 2022-12-28 EP claimed
WO-2021069567-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-04-15 WO claimed
CN-115551839-B Heteroaryl-triazole compounds as pesticides 拜耳公司 2024-06-04 CN disclosed
US-20230148601-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-05-18 US disclosed
US-20230028441-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES ELANCO ANIMAL HEALTH GMBH (DE) 2023-01-26 US disclosed
EP-4107151-A1 HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES Bayer Aktiengesellschaft (DE) 2022-12-28 EP disclosed
WO-2021069567-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-04-15 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-20230148601-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES PRXL2A, GLRX3, CYP4F3 HDAC4 1519/4885NAMPT 3817/4885TRPM8 4446/4885
US-20230028441-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES PRXL2A, GLRX3, CYP4F3 HDAC4 1519/4885NAMPT 3817/4885TRPM8 4446/4885

“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.