SCHEMBL18779265

SCHEMBL18779265

CC(C)(C)n1c(NC(=O)C[C@](C)(O)c2ccccc2)nc2cc(F)c(F)cc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 10/20 0.42
ADORA1 P30542 1/20 0.36
MT-CO1 P00395 1/20 0.35
MT-CO2 P00403 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EGFR P00533 1/20 0.35
RPS6KA2 Q15349 1/20 0.35
NR3C2 P08235 1/20 0.34
ECE1 P42892 2/20 0.34
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33

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
SCHEMBL20111256 1.00 ACSS2 (0.42) ACSS2ADORA1MT-CO1MT-CO2LMNA
SCHEMBL20110992 0.92 ACSS2 (0.40) ACSS2ADORA1LMNASMN1; SMN2EGFR
SCHEMBL18779254 0.92 ACSS2 (0.40) ACSS2ADORA1LMNASMN1; SMN2EGFR
SCHEMBL17586626 0.85 ACSS2 (0.38) ACSS2ADORA1LMNASMN1; SMN2EGFR
SCHEMBL18779239 0.83 ACSS2 (0.36) ACSS2MT-CO1MT-CO2LMNASMN1; SMN2
SCHEMBL18791650 0.83 ACSS2 (0.38) ACSS2ADORA1LMNASMN1; SMN2NR3C2
SCHEMBL20111103 0.83 ACSS2 (0.38) ACSS2ADORA1LMNASMN1; SMN2NR3C2
SCHEMBL17582855 0.82 ITK (0.36) ACSS2ADORA1LMNASMN1; SMN2EGFR
SCHEMBL21354556 0.82 ACSS2 (0.42) ACSS2
SCHEMBL17582851 0.82 ITK (0.36) ACSS2ADORA1LMNASMN1; SMN2EGFR

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 4 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-11724990-B2 Kv7 channel activators compositions and methods of use BIOHAVEN THERAPEUTICS LTD. (VG) 2023-08-15 US disclosed
US-20170114022-A1 BENZOIMIDAZOL-1,2-YL AMIDES AS Kv7 CHANNEL ACTIVATORS CHANNEL BIOSCIENCES, LLC 2017-04-27 US 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 (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-11724990-B2 Kv7 channel activators compositions and methods of use KCNA7, KCNK17, KCNAB1 ACSS2 2521/4885ADORA1 2887/4885MT-CO1 1380/4885
US-20170114022-A1 BENZOIMIDAZOL-1,2-YL AMIDES AS Kv7 CHANNEL ACTIVATORS KCNA7, KCNJ2, KCNK17 ACSS2 928/4885ADORA1 2180/4885MT-CO1 1521/4885

“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.