SCHEMBL20847882

SCHEMBL20847882

Cc1c(Cl)cccc1C1(C#N)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.45
ALDH1A1 P00352 1/20 0.38
ADRA1A P35348 3/20 0.36
ADRA1D P25100 2/20 0.36
ADRA1B P35368 2/20 0.36
OPRM1 P35372 3/20 0.36
RECQL P46063 1/20 0.34
KDM1A O60341 1/20 0.33
RORC P51449 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 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
SCHEMBL20847876 0.93 HDAC4 (0.47) HDAC4ALDH1A1ADRA1AADRA1DADRA1B
SCHEMBL4555845 0.81 ADRA1A (0.41) HDAC4ADRA1AADRA1DADRA1BOPRM1
SCHEMBL31459475 0.81 ADRA1A (0.41) HDAC4ADRA1AADRA1DADRA1BOPRM1
SCHEMBL16727037 0.79 BRAF (0.38) HDAC4ADRA1AADRA1DADRA1BOPRM1
SCHEMBL18190501 0.79 OPRM1 (0.33) ADRA1AADRA1DADRA1BOPRM1KDM1A
SCHEMBL4597770 0.78 KMT2A (0.38) ALDH1A1ADRA1AADRA1DADRA1BOPRM1
SCHEMBL11178032 0.78 OXTR (0.50) ALDH1A1ADRA1AADRA1DADRA1B
SCHEMBL4648771 0.77 OPRM1 (0.38) ALDH1A1OPRM1SLC6A4SLC6A3
SCHEMBL31459234 0.76 HDAC4 (0.43) HDAC4OPRM1SLC6A4SLC6A3
SCHEMBL18742698 0.75 BDKRB1 (0.39) HDAC4ALDH1A1OPRM1KDM1ARORC

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 683/4885ALDH1A1 986/4885ADRA1A 312/4885
US-20190092735-A1 BENZIMIDAZOLONE AND BENZOTHIAZOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS GRIN1, GABRE, GRIN3A HDAC4 683/4885ALDH1A1 986/4885ADRA1A 312/4885

“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.