SCHEMBL28617883

SCHEMBL28617883

C=CC(=O)c1c(F)cc(Br)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.37
AKT1 P31749 1/20 0.34
SMN1; SMN2 Q16637 6/20 0.33
MAPT P10636 5/20 0.33
ALDH1A1 P00352 5/20 0.33
NPC1 O15118 5/20 0.33
RAB9A P51151 5/20 0.33
LMNA P02545 4/20 0.33
TGM2 P21980 3/20 0.33
F13A1 P00488 1/20 0.33
TGM1 P22735 1/20 0.33
TGM3 Q08188 1/20 0.33
ALDH5A1 P51649 1/20 0.33
ABAT P80404 1/20 0.33
KMT2A Q03164 4/20 0.32
EGFR P00533 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
MEN1 O00255 2/20 0.32
MAPK1 P28482 2/20 0.32
KDM4E B2RXH2 1/20 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
SCHEMBL16513641 0.75 DGAT1 (0.34) DGAT1SMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL16513638 0.75 DGAT1 (0.34) DGAT1SMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL4140545 0.74 CES2 (0.56) AKT1SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL516974 0.73 DGAT1 (0.42) DGAT1SMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL24726410 0.72 AKT1 (0.41) AKT1SMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL15400370 0.72 TDP1 (0.65) SMN1; SMN2MAPTALDH1A1RAB9ALMNA
SCHEMBL15400371 0.72 TDP1 (0.65) SMN1; SMN2MAPTALDH1A1RAB9ALMNA
SCHEMBL1351105 0.71 DGAT1 (0.41) DGAT1SMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL1317647 0.71 DGAT1 (0.55) DGAT1SMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL1085223 0.71 DGAT1 (0.41) DGAT1SMN1; SMN2MAPTALDH1A1NPC1

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
CN-113302184-B 1,3, 4-Oxadiazolinone compounds and medicaments 日本新药株式会社 2024-11-22 CN disclosed
US-20220024921-A1 1,3,4-OXADIAZOLONE COMPOUND AND PHARMACEUTICAL NIPPON SHINYAKU CO., LTD. (JP) 2022-01-27 US disclosed
CN-113302184-A 1,3, 4-oxadiazolinone compounds and drugs 日本新药株式会社 2021-08-24 CN 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 (1 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-20220024921-A1 1,3,4-OXADIAZOLONE COMPOUND AND PHARMACEUTICAL PIM1, PIM3, PIM2 DGAT1 2717/4885AKT1 2418/4885SMN1; SMN2 4744/4885

“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.