SCHEMBL23826007

SCHEMBL23826007

C[C@H](Nc1cc(C(=O)O)cc(Br)c1Cl)C1CCC(NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ DRD2 P14416 6/20 0.36
▸ CRHR1 P34998 1/20 0.36
▸ DRD3 P35462 2/20 0.36
▸ AAK1 Q2M2I8 3/20 0.35
▸ BTK Q06187 2/20 0.34
▸ CKS1B P61024 1/20 0.34
▸ SKP1 P63208 1/20 0.34
▸ SKP2 Q13309 1/20 0.34
▸ CACNB4 O00305 1/20 0.33
▸ CACNA1A O00555 1/20 0.33
▸ CACNA1G O43497 1/20 0.33
▸ CACNG3 O60359 1/20 0.33
▸ CACNA1F O60840 1/20 0.33
▸ CACNA1H O95180 1/20 0.33
▸ CACNB3 P54284 1/20 0.33
▸ CACNA2D1 P54289 1/20 0.33

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
SCHEMBL23826166 0.91 KMT2A (0.39) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL23826793 0.90 DRD2 (0.39) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL23826802 0.88 CRHR1 (0.38) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL23826504 0.86 KDM1A (0.41) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL23826402 0.83 TOP2A (0.45) KMT2AL3MBTL1TOP2A
SCHEMBL23826400 0.83 TOP2A (0.45) KMT2AL3MBTL1TOP2A
SCHEMBL23827068 0.78 KDM1A (0.36) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL23826909 0.78 KMT2A (0.38) KDM1AMAOBKMT2AL3MBTL1DRD2
SCHEMBL15409273 0.75 GPR35 (0.45) KMT2AAAK1TOP2A
SCHEMBL23826582 0.74 EED (0.44) KMT2AL3MBTL1TOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220024921-A1 1,3,4-OXADIAZOLONE COMPOUND AND PHARMACEUTICAL NIPPON SHINYAKU CO., LTD. (JP) 2022-01-27 — — US disclosed
EP-3882239-A1 1,3,4-OXADIAZOLONE COMPOUND AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2021-09-22 — — EP 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 KDM1A 334/4885MAOB 2103/4885KMT2A 3641/4885

“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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