SCHEMBL18779281

SCHEMBL18779281

CC(C)(O)CC(=O)Nc1nc2ccc(OC(F)F)cc2n1C1(C)CCC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 14/20 0.37
MCHR1 Q99705 1/20 0.36
ROCK2 O75116 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGDS O60760 1/20 0.34
PDE2A O00408 1/20 0.33
ABL1 P00519 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
SCHEMBL21354683 0.93 BRD4 (0.38) IDH1MCHR1MEN1KMT2AABL1
SCHEMBL30315331 0.93 BRD4 (0.38) IDH1MCHR1MEN1KMT2AABL1
SCHEMBL21354586 0.91 MCHR1 (0.37) IDH1MCHR1MEN1KMT2A
SCHEMBL30315330 0.91 MCHR1 (0.37) IDH1MCHR1MEN1KMT2A
SCHEMBL20111113 0.89 ACSS2 (0.38) IDH1MCHR1MEN1KMT2A
SCHEMBL18791928 0.89 ACSS2 (0.38) IDH1MCHR1MEN1KMT2A
SCHEMBL18791929 0.89 ACSS2 (0.38) IDH1MCHR1MEN1KMT2A
SCHEMBL21354758 0.89 HPGDS (0.37) IDH1MCHR1HPGDSABL1
SCHEMBL18779284 0.86 PDE2A (0.32) PDE2A
SCHEMBL18791667 0.85 CSNK1D (0.42) MCHR1ROCK2

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 2 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-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 IDH1 2551/4885MCHR1 3930/4885ROCK2 3519/4885
US-20170114022-A1 BENZOIMIDAZOL-1,2-YL AMIDES AS Kv7 CHANNEL ACTIVATORS KCNA7, KCNJ2, KCNK17 IDH1 3023/4885MCHR1 4581/4885ROCK2 3789/4885

“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.