SCHEMBL23827000

SCHEMBL23827000

CC(C)(C)OC(=O)N1CCC(CNc2cc(C(=O)O)ccc2Br)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.56
▸ PKM P14618 1/20 0.56
▸ IDO1 P14902 1/20 0.49
▸ TDO2 P48775 1/20 0.49
▸ BRD4 O60885 1/20 0.48
▸ TGFBR1 P36897 6/20 0.47
▸ TOP2A P11388 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ GPR119 Q8TDV5 2/20 0.46
▸ FPR3 P25089 1/20 0.44
▸ FPR2 P25090 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ LIMK2 P53671 1/20 0.43

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
SCHEMBL23825779 0.81 DRD2 (0.42) KMT2A
SCHEMBL31747355 0.81 KDM4E (0.64) KDM4EPKMTGFBR1GPR119LIMK2
SCHEMBL23826470 0.80 GPR119 (0.48) KDM4EPKMTOP2AKMT2AGPR119
SCHEMBL23826473 0.80 GPR119 (0.48) KDM4EPKMTOP2AKMT2AGPR119
SCHEMBL2429883 0.80 IDO1 (0.51) KDM4EPKMIDO1TDO2BRD4
SCHEMBL6224 0.79 IDO1 (0.49) KDM4EPKMIDO1TDO2BRD4
SCHEMBL11909647 0.79 IDO1 (0.49) KDM4EPKMIDO1TDO2BRD4
SCHEMBL620235 0.78 IDO1 (0.53) KDM4EPKMIDO1TDO2BRD4
SCHEMBL22121339 0.77 KDM4E (0.53) KDM4EPKMIDO1TDO2BRD4
SCHEMBL15539667 0.77 FPR2 (0.61) KDM4EPKMIDO1TDO2TGFBR1

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
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
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 KDM4E 458/4885PKM 471/4885IDO1 6/4885

“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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