SCHEMBL18154359

SCHEMBL18154359

O=C(O)NCCCC(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.74
HDAC6 Q9UBN7 3/20 0.74
HDAC1 Q13547 2/20 0.74
HDAC3 O15379 1/20 0.74
HDAC4 P56524 1/20 0.74
HDAC7 Q8WUI4 1/20 0.74
HDAC2 Q92769 1/20 0.74
HDAC10 Q969S8 1/20 0.74
HDAC11 Q96DB2 1/20 0.74
HDAC9 Q9UKV0 1/20 0.74
HDAC5 Q9UQL6 1/20 0.74
DYRK1A Q13627 1/20 0.63
CSNK1D P48730 4/20 0.60
WNT3A P56704 1/20 0.56
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
ACP1 P24666 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
TSHR P16473 1/20 0.53
MITF O75030 1/20 0.53

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
SCHEMBL18154311 0.90 HDAC8 (0.72) HDAC8HDAC6HDAC1HDAC3HDAC4
SCHEMBL29698938 0.88 HDAC8 (0.68) HDAC8HDAC6HDAC1HDAC3HDAC4
SCHEMBL18163732 0.88 HDAC8 (0.68) HDAC8HDAC6HDAC1HDAC3HDAC4
SCHEMBL23697742 0.87 HDAC3 (0.73) HDAC8HDAC6HDAC1HDAC3HDAC4
SCHEMBL18154404 0.87 HDAC8 (0.67) HDAC8HDAC6HDAC1HDAC3HDAC4
SCHEMBL29698966 0.87 HDAC8 (0.67) HDAC8HDAC6HDAC1HDAC3HDAC4
SCHEMBL18154405 0.87 HDAC8 (0.67) HDAC8HDAC6HDAC1HDAC3HDAC4
SCHEMBL18154095 0.86 HDAC3 (0.79) HDAC8HDAC6HDAC1HDAC3HDAC4
SCHEMBL18154226 0.86 HDAC8 (0.64) HDAC8HDAC6HDAC1HDAC3HDAC4
SCHEMBL18154224 0.86 HDAC8 (0.64) HDAC8HDAC6HDAC1HDAC3HDAC4

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180037557-A1 PRODRUGS RILUZOLE AND THEIR METHOD OF USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2018-02-08 US claimed
WO-2016140878-A9 PRODRUGS RILUZOLE AND THEIR METHOD OF USE BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2016-10-20 WO claimed
US-12005047-B2 Riluzole prodrugs and their use BIOHAVEN THERAPEUTICS LTD. (US) 2024-06-11 US disclosed
US-20240091205-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2024-03-21 US disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
US-11911369-B2 Prodrugs of riluzole and their method of use BIOHAVEN THERAPEUTICS LTD. (VG) 2024-02-27 US disclosed
US-20230381149-A1 RILUZOLE PRODRUGS AND THEIR USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2023-11-30 US disclosed
US-20230381150-A1 RILUZOLE PRODRUGS AND THEIR USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2023-11-30 US disclosed
US-20230017637-A1 RILUZOLE PRODRUGS AND THEIR USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2023-01-19 US disclosed
US-20220396555-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE BIOHAVEN THERAPEUTICS LTD. (US) 2022-12-15 US disclosed
EP-4011870-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING RILUZOLE PRODRUGS Biohaven Pharmaceutical Holding Company Ltd. (US) 2022-06-15 EP disclosed
US-20210228549-A1 RILUZOLE PRODRUGS AND THEIR USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2021-07-29 US disclosed
US-11052070-B2 Riluzole prodrugs and their use BIOHAVEN THERAPEUTICS LTD. (US) 2021-07-06 US disclosed
US-10905681-B2 Riluzole prodrugs and their use BIOHAVEN THERAPEUTICS LTD. (US) 2021-02-02 US disclosed
US-20200289475-A1 RILUZOLE PRODRUGS AND THEIR USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2020-09-17 US disclosed
US-10639298-B2 Prodrugs of riluzole and their method of use BIOHAVEN THERAPEUTICS LTD. (US) 2020-05-05 US disclosed
US-20200085794-A1 RILUZOLE PRODRUGS AND THEIR USE BIOHAVEN THERAPEUTICS LTD. (JP) 2020-03-19 US disclosed
US-20180037557-A1 PRODRUGS RILUZOLE AND THEIR METHOD OF USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2018-02-08 US disclosed
US-20180036290-A1 RILUZOLE PRODRUGS AND THEIR USE BEETLEJUICE SA LLC, AS PURCHASER AGENT 2018-02-08 US disclosed
WO-2016140878-A9 PRODRUGS RILUZOLE AND THEIR METHOD OF USE BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2016-10-20 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 (15 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-20230381150-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 HDAC8 854/4885HDAC6 477/4885HDAC1 145/4885
US-10905681-B2 Riluzole prodrugs and their use APEH, ALDH1A2, UGT1A9 HDAC8 854/4885HDAC6 477/4885HDAC1 145/4885
US-20200289475-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 HDAC8 854/4885HDAC6 477/4885HDAC1 145/4885
US-20180036290-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 HDAC8 854/4885HDAC6 477/4885HDAC1 145/4885
US-11911369-B2 Prodrugs of riluzole and their method of use APEH, UGT1A9, ALDH3A1 HDAC8 968/4885HDAC6 582/4885HDAC1 265/4885
US-12005047-B2 Riluzole prodrugs and their use APEH, ALDH1A2, UGT1A9 HDAC8 854/4885HDAC6 477/4885HDAC1 145/4885
US-20230017637-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 HDAC8 854/4885HDAC6 477/4885HDAC1 145/4885
US-11052070-B2 Riluzole prodrugs and their use APEH, ALDH1A2, UGT1A9 HDAC8 854/4885HDAC6 477/4885HDAC1 145/4885
US-20180037557-A1 PRODRUGS RILUZOLE AND THEIR METHOD OF USE APEH, CYP2C9, ALDH1A2 HDAC8 1019/4885HDAC6 610/4885HDAC1 257/4885
US-20240091205-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE APEH, UGT1A9, ALDH3A1 HDAC8 968/4885HDAC6 582/4885HDAC1 265/4885
US-20200085794-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 HDAC8 854/4885HDAC6 477/4885HDAC1 145/4885
US-10639298-B2 Prodrugs of riluzole and their method of use APEH, UGT1A9, ALDH3A1 HDAC8 968/4885HDAC6 582/4885HDAC1 265/4885
US-20210228549-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 HDAC8 854/4885HDAC6 477/4885HDAC1 145/4885
US-20230381149-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 HDAC8 854/4885HDAC6 477/4885HDAC1 145/4885
US-20220396555-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE APEH, UGT1A9, ALDH3A1 HDAC8 968/4885HDAC6 582/4885HDAC1 265/4885

“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.