SCHEMBL21052632

SCHEMBL21052632

FC1(F)CCN(CCOc2ccnc(Br)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.47
▸ LTA4H P09960 3/20 0.42
▸ LMNA P02545 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GRM4 Q14833 2/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ SLC6A4 P31645 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ SLC6A2 P23975 1/20 0.38
▸ PSMB1 P20618 1/20 0.38
▸ PSMB5 P28074 1/20 0.38

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
SCHEMBL31372502 0.81 KDM4E (0.58) LTA4HKDM4E
SCHEMBL22137693 0.79 LTA4H (0.63) HRH3LTA4HSMN1; SMN2PTGS2KDM4E
SCHEMBL29615499 0.76 DRD2 (0.43) HRH3LTA4HLMNAMAPK1HTT
SCHEMBL22919100 0.76 DRD2 (0.43) HRH3LTA4HLMNAMAPK1HTT
SCHEMBL22584962 0.76 SIGMAR1 (0.44) HRH3SLC6A4KDM4ESLC6A2
SCHEMBL30692855 0.76 SIGMAR1 (0.44) HRH3SLC6A4KDM4ESLC6A2
SCHEMBL17198029 0.75 LTA4H (0.59) HRH3LTA4HDRD2
SCHEMBL20576384 0.73 HRH3 (0.60) HRH3MAPK1DRD2SLC6A4KDM4E
SCHEMBL30692817 0.73 HRH3 (0.60) HRH3MAPK1DRD2SLC6A4KDM4E
SCHEMBL82404 0.73 HRH3 (0.59) HRH3LTA4HDRD2KDM4EPSMB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111406054-B 1,2, 4-oxadiazole derivatives as inhibitors of histone deacetylase 6 奥莱松基因组股份有限公司 2024-01-02 — — CN disclosed
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
CN-111406054-A 1, 2, 4-oxadiazole derivatives as inhibitors of histone deacetylase 6 奥莱松基因组股份有限公司 2020-07-10 — — CN disclosed
WO-2019110663-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2019-06-13 — — 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 HRH3 507/4885LTA4H 2792/4885LMNA 3578/4885
US-20230026909-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS HDAC6, HDAC1, HDAC3 HRH3 507/4885LTA4H 2792/4885LMNA 3578/4885

“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.

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