SCHEMBL18791986

SCHEMBL18791986

CC(O)(CC(=O)Nc1nc2cc(F)c(F)cc2n1C(C)(C)C)CC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 1/20 0.33
MT-CO1 P00395 2/20 0.32
MT-CO2 P00403 2/20 0.32
PTGES O14684 1/20 0.31
AR P10275 1/20 0.31
ROCK2 O75116 1/20 0.30
EDNRA P25101 1/20 0.30
OPRM1 P35372 1/20 0.30
HTR2B P41595 1/20 0.30
KCNH2 Q12809 1/20 0.30
CSNK1D P48730 1/20 0.30
IDO1 P14902 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
SCHEMBL18779239 0.89 ACSS2 (0.36) ACSS2MT-CO1MT-CO2AREDNRA
SCHEMBL20111256 0.81 ACSS2 (0.42) ACSS2MT-CO1MT-CO2
SCHEMBL20111257 0.81 CYP11B2 (0.35) ACSS2MT-CO1MT-CO2PTGESROCK2
SCHEMBL18779248 0.81 CYP11B2 (0.35) ACSS2MT-CO1MT-CO2PTGESROCK2
SCHEMBL18779265 0.81 ACSS2 (0.42) ACSS2MT-CO1MT-CO2
SCHEMBL18791841 0.78 LMNA (0.34) ACSS2PTGESKCNH2
SCHEMBL18779245 0.77 PTGES (0.33) ACSS2PTGES
SCHEMBL19278288 0.77 NLRP3 (0.33) CSNK1D
SCHEMBL19278285 0.77 LMNA (0.33)
SCHEMBL19278434 0.76 PDE2A (0.34) CSNK1D

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
US-11724990-B2 Kv7 channel activators compositions and methods of use BIOHAVEN THERAPEUTICS LTD. (VG) 2023-08-15 US disclosed
US-20230000831-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE CHANNEL BIOSCIENCES, LLC 2023-01-05 US disclosed
US-20210130299-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-05-06 US disclosed
US-10851067-B2 Kv7 channel activators compositions and methods of use KNOPP BIOSCIENCES LLC (US) 2020-12-01 US disclosed
US-20200062714-A1 BENZOIMIDAZOL-1,2-YL AMIDES AS Kv7 CHANNEL ACTIVATORS CHANNEL BIOSCIENCES, LLC 2020-02-27 US disclosed
US-20190284142-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE CHANNEL BIOSCIENCES, LLC 2019-09-19 US disclosed
WO-2018081825-A1 BENZOIMIDAZOL-1, 2-YL AMIDES AS KV7 CHANNEL ACTIVATORS KNOPP BIOSCIENCES LLC (US) 2018-05-03 WO disclosed
US-20170114022-A1 BENZOIMIDAZOL-1,2-YL AMIDES AS Kv7 CHANNEL ACTIVATORS CHANNEL BIOSCIENCES, LLC 2017-04-27 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 (7 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-20190284142-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KCNA7, KCNK17, KCNAB1 ACSS2 2521/4885MT-CO1 1380/4885MT-CO2 1426/4885
US-11724990-B2 Kv7 channel activators compositions and methods of use KCNA7, KCNK17, KCNAB1 ACSS2 2521/4885MT-CO1 1380/4885MT-CO2 1426/4885
US-20230000831-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KCNA7, KCNK17, KCNAB1 ACSS2 2521/4885MT-CO1 1380/4885MT-CO2 1426/4885
US-20170114022-A1 BENZOIMIDAZOL-1,2-YL AMIDES AS Kv7 CHANNEL ACTIVATORS KCNA7, KCNJ2, KCNK17 ACSS2 928/4885MT-CO1 1521/4885MT-CO2 1376/4885
US-10851067-B2 Kv7 channel activators compositions and methods of use KCNA7, KCNK17, KCNAB1 ACSS2 2521/4885MT-CO1 1380/4885MT-CO2 1426/4885
US-20210130299-A1 KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE KCNA7, KCNK17, KCNAB1 ACSS2 2521/4885MT-CO1 1380/4885MT-CO2 1426/4885
US-20200062714-A1 BENZOIMIDAZOL-1,2-YL AMIDES AS Kv7 CHANNEL ACTIVATORS KCNA7, KCNJ2, KCNK17 ACSS2 928/4885MT-CO1 1521/4885MT-CO2 1376/4885

“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.