SCHEMBL20577017

SCHEMBL20577017

ClCCCOc1ccc(Br)nc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.42
CHRNA4 P43681 2/20 0.42
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DRD4 P21917 1/20 0.35
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
SCHEMBL30692795 1.00 CHRNB2 (0.42) CHRNB2CHRNA4NPC1RAB9ASMN1; SMN2
SCHEMBL22117617 0.92 CHRNB2 (0.45) CHRNB2CHRNA4
SCHEMBL20577124 0.84 CHRNB2 (0.42) CHRNB2CHRNA4HRH3
SCHEMBL30692819 0.84 CHRNB2 (0.42) CHRNB2CHRNA4HRH3
SCHEMBL1109106 0.84 CYP2D6 (0.47) CHRNB2CHRNA4NPC1RAB9ASMN1; SMN2
SCHEMBL15901278 0.82 CHRNB2 (0.41) CHRNB2CHRNA4SMN1; SMN2
SCHEMBL15082431 0.82 MAPT (0.44) CHRNB2CHRNA4SMN1; SMN2
SCHEMBL16536086 0.82 CHRNB2 (0.43) CHRNB2CHRNA4NPC1RAB9ASMN1; SMN2
SCHEMBL17658773 0.82 CHRNB2 (0.43) CHRNB2CHRNA4NPC1RAB9ASMN1; SMN2
SCHEMBL15918593 0.81 CHRNB2 (0.40) 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 3603/4885NPC1 1028/4885
US-20230026909-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS HDAC6, HDAC1, HDAC3 CHRNB2 3915/4885CHRNA4 3603/4885NPC1 1028/4885

“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.