SCHEMBL22029464

SCHEMBL22029464

O=C(Nc1c(I)cc(C(F)(C(F)(F)F)C(F)(F)F)cc1C(F)(F)F)c1cccc(N(CC2CC2)C(=O)c2ccc(Br)cc2)c1F

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.32
HSD11B1 P28845 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
HDAC1 Q13547 2/20 0.30
HDAC6 Q9UBN7 2/20 0.30
S1PR1 P21453 1/20 0.30

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
SCHEMBL22029433 0.94 HDAC8 (0.34) HDAC8GPBAR1HSD11B1SLC6A2SLC6A4
SCHEMBL21707891 0.92 HDAC8 (0.36) HDAC8RXFP1GPBAR1HSD11B1SLC6A2
SCHEMBL30979910 0.92 HDAC8 (0.36) HDAC8RXFP1GPBAR1HSD11B1SLC6A2
SCHEMBL21701238 0.90 RXFP1 (0.37) HDAC8RXFP1GPBAR1HSD11B1SLC6A2
SCHEMBL30979920 0.89 HDAC8 (0.35) HDAC8GPBAR1HSD11B1SLC6A2SLC6A4
SCHEMBL21707893 0.89 HDAC8 (0.35) HDAC8GPBAR1HSD11B1SLC6A2SLC6A4
SCHEMBL24626045 0.89 GPBAR1 (0.34) HDAC8GPBAR1SLC6A2SLC6A4S1PR1
SCHEMBL29857385 0.88 RXFP1 (0.40) HDAC8RXFP1GPBAR1HSD11B1SLC6A2
SCHEMBL23251050 0.88 RXFP1 (0.40) HDAC8RXFP1GPBAR1HSD11B1SLC6A2
SCHEMBL23053046 0.88 P2RX7 (0.37) HDAC8GPBAR1

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-3816150-B1 M-DIAMIDE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CAC SHANGHAI INT TRADING CO LTD (CN) 2024-07-24 EP claimed
US-11540516-B2 M-diamide compound and preparation method therefor and use thereof CAC SHANGHAI INTERNATIONAL TRADING CO., LTD. (CN) 2023-01-03 US claimed
EP-3816150-A1 M-DIAMIDE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF Cac Shanghai International Trading Co., Ltd. (CN) 2021-05-05 EP claimed
US-20200178525-A1 M-DIAMIDE COMPOUND AND PREPARATION METHOD THEREOF AND USE THEREOF CAC SHANGHAI INTERNATIONAL TRADING CO., LTD. (CN) 2020-06-11 US claimed
EP-3816150-B1 M-DIAMIDE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CAC SHANGHAI INT TRADING CO LTD (CN) 2024-07-24 EP disclosed
US-11540516-B2 M-diamide compound and preparation method therefor and use thereof CAC SHANGHAI INTERNATIONAL TRADING CO., LTD. (CN) 2023-01-03 US disclosed
EP-3816150-A1 M-DIAMIDE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF Cac Shanghai International Trading Co., Ltd. (CN) 2021-05-05 EP disclosed
US-20200178525-A1 M-DIAMIDE COMPOUND AND PREPARATION METHOD THEREOF AND USE THEREOF CAC SHANGHAI INTERNATIONAL TRADING CO., LTD. (CN) 2020-06-11 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-11540516-B2 M-diamide compound and preparation method therefor and use thereof DIMT1, DDT, MRM1 HDAC8 1693/4885RXFP1 581/4885GPBAR1 3748/4885
US-20200178525-A1 M-DIAMIDE COMPOUND AND PREPARATION METHOD THEREOF AND USE THEREOF DDT, DIMT1, QDPR HDAC8 1546/4885RXFP1 1166/4885GPBAR1 4015/4885

“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.