SCHEMBL8302306

SCHEMBL8302306

OCCOc1ccnc(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
RECQL P46063 1/20 0.45
MAOA P21397 1/20 0.42
CA1 P00915 2/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
CYP3A4 P08684 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NR1I2 O75469 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
P2RY12 Q9H244 1/20 0.38
SLC22A12 Q96S37 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
GAA P10253 1/20 0.36
APP P05067 1/20 0.36
IDO1 P14902 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL31637890 1.00 ALDH1A1 (0.45) ALDH1A1RECQLMAOACA1CA12
SCHEMBL31637791 0.91 PDE2A (0.38) ALDH1A1RECQLMAOANR1I2PDE3B
SCHEMBL31638113 0.89 FGFR1 (0.40) ALDH1A1RECQLMAOAPDE3BPDE3A
SCHEMBL18354456 0.85 CA12 (0.39) ALDH1A1CA1CA12CA9APP
SCHEMBL179117 0.82 KDM4E (0.46) ALDH1A1CYP3A4SMN1; SMN2HTTRAB9A
SCHEMBL21052284 0.82 RAB9A (0.40) MAOASMN1; SMN2APPIDO1HTT
SCHEMBL30692844 0.82 RAB9A (0.40) MAOASMN1; SMN2APPIDO1HTT
SCHEMBL3385321 0.81 NPC1 (0.41) ALDH1A1CA1CA12CA9CYP3A4
SCHEMBL25308169 0.79 MAOA (0.44) MAOASLC22A12APPSYKMAOB
SCHEMBL15663115 0.79 CYP2D6 (0.49) CA1CA12CA9CYP3A4CA2

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-2004096804-A1 DIAZABICYCLONONENE AND TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2004-11-11 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 ALDH1A1 248/4885RECQL 2147/4885MAOA 955/4885
US-20230026909-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS HDAC6, HDAC1, HDAC3 ALDH1A1 248/4885RECQL 2147/4885MAOA 955/4885

“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.