SCHEMBL20847876

SCHEMBL20847876

Cc1c(Cl)cccc1C1(C#N)CCC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.47
RORC P51449 2/20 0.37
ALDH1A1 P00352 1/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 2/20 0.36
ADRA1A P35348 3/20 0.35
ADRA1D P25100 2/20 0.35
ADRA1B P35368 2/20 0.35
OPRM1 P35372 2/20 0.34
RECQL P46063 1/20 0.33
OPRK1 P41145 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
PDE7A Q13946 1/20 0.32
PDE7B Q9NP56 1/20 0.32

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
SCHEMBL20847882 0.93 HDAC4 (0.45) HDAC4RORCALDH1A1SLC6A4SLC6A3
SCHEMBL18742698 0.83 BDKRB1 (0.39) HDAC4RORCALDH1A1SLC6A4SLC6A3
SCHEMBL18742441 0.82 HDAC4 (0.41) HDAC4SLC6A4SLC6A3ADRA1AADRA1D
SCHEMBL18190455 0.80 RORC (0.35) HDAC4RORCALDH1A1SLC6A4SLC6A3
SCHEMBL18742611 0.80 BACE1 (0.36) HDAC4RORCALDH1A1SLC6A4SLC6A3
SCHEMBL8747130 0.79 HDAC4 (0.45) HDAC4ALDH1A1SLC6A4SLC6A3ADRA1A
SCHEMBL18742507 0.78 SLC6A4 (0.38) HDAC4ALDH1A1SLC6A4SLC6A3OPRM1
SCHEMBL19357433 0.77 PDE7A (0.35) HDAC4ALDH1A1OPRM1PDE7A
SCHEMBL19382151 0.75 PDE7A (0.37) HDAC4ALDH1A1SLC6A4SLC6A3ADRA1A
SCHEMBL624164 0.75 ADRA1A (0.41) HDAC4ADRA1AADRA1DADRA1BOPRM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3288936-B1 BENZIMIDAZOLONE AND BENZOTHIAZOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-05-06 EP disclosed
US-10611730-B2 Benzimidazolone and benzothiazolone compounds and their use as AMPA receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-07 US disclosed
US-20190092735-A1 BENZIMIDAZOLONE AND BENZOTHIAZOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-03-28 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-10611730-B2 Benzimidazolone and benzothiazolone compounds and their use as AMPA receptor modulators GRIN1, GABRE, GRIN3A HDAC4 683/4885RORC 1344/4885ALDH1A1 986/4885
US-20190092735-A1 BENZIMIDAZOLONE AND BENZOTHIAZOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS GRIN1, GABRE, GRIN3A HDAC4 683/4885RORC 1344/4885ALDH1A1 986/4885

“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.