SCHEMBL20577124

SCHEMBL20577124

BrCCCOc1ccc(Br)nc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.42
CHRNA4 P43681 2/20 0.42
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL30692819 1.00 CHRNB2 (0.42) CHRNB2CHRNA4HRH3
SCHEMBL16536086 0.90 CHRNB2 (0.43) CHRNB2CHRNA4
SCHEMBL20577017 0.84 CHRNB2 (0.42) CHRNB2CHRNA4HRH3
SCHEMBL30692795 0.84 CHRNB2 (0.42) CHRNB2CHRNA4HRH3
SCHEMBL1109106 0.84 CYP2D6 (0.47) CHRNB2CHRNA4
SCHEMBL15901278 0.82 CHRNB2 (0.41) CHRNB2CHRNA4
SCHEMBL15082431 0.82 MAPT (0.44) CHRNB2CHRNA4
SCHEMBL17658773 0.82 CHRNB2 (0.43) CHRNB2CHRNA4
SCHEMBL15918593 0.81 CHRNB2 (0.40) CHRNB2CHRNA4
SCHEMBL22117617 0.80 CHRNB2 (0.45) CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230026909-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2023-01-26 US disclosed
US-20200339569-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2020-10-29 US disclosed
EP-3720851-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS Oryzon Genomics, S.A. (ES) 2020-10-14 EP disclosed
WO-2019110663-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2019-06-13 WO disclosed
WO-2018219478-A1 HETEROARYL-CARBOXAMIDES AS HISTONE DEMETHYLASE INHIBITORS ORYZON GENOMICS, S.A. (ES) 2018-12-06 WO 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-20200339569-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS HDAC6, HDAC1, HDAC3 CHRNB2 3915/4885CHRNA4 3603/4885HRH3 507/4885
US-20230026909-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS HDAC6, HDAC1, HDAC3 CHRNB2 3915/4885CHRNA4 3603/4885HRH3 507/4885

“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.