SCHEMBL25408322

SCHEMBL25408322

CC(C)(C)OC(=O)c1nn2c(c1Br)CN(C(=O)OCc1ccccc1)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TMEM97 Q5BJF2 6/20 0.41
▸ SIGMAR1 Q99720 6/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ PDK1 Q15118 1/20 0.40
▸ PDK2 Q15119 1/20 0.40
▸ PDK3 Q15120 1/20 0.40
▸ PDK4 Q16654 1/20 0.40
▸ CYP2C19 P33261 1/20 0.39
▸ F2 P00734 1/20 0.38
▸ F12 P00748 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ ADRA2B P18089 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
SCHEMBL29911282 0.88 L3MBTL1 (0.43) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL25411842 0.82 PDK1 (0.40) MEN1KMT2ATMEM97SIGMAR1PARP1
SCHEMBL30515595 0.81 GABRA1 (0.35) —
SCHEMBL26969090 0.79 MEN1 (0.45) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL26969130 0.79 PRMT1 (0.47) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL26969129 0.79 MEN1 (0.44) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL25411788 0.78 MEN1 (0.42) MEN1KMT2ANPSR1TMEM97SIGMAR1
SCHEMBL30752612 0.77 NR1H2 (0.46) SMN1; SMN2F12MAPT
SCHEMBL30752613 0.77 NR1H2 (0.46) SMN1; SMN2F12MAPT
SCHEMBL30752610 0.77 NR1H2 (0.46) SMN1; SMN2F12MAPT

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-20250170126-A1 NOVEL B0AT1 INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2025-05-29 — — US disclosed
EP-4470533-A1 NOVEL B0AT1 INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2024-12-04 — — EP disclosed
WO-2023145804-A1 NOVEL B0AT1 INHIBITOR 田辺三菱製薬株式会社 2023-08-03 — — 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 (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-20250170126-A1 NOVEL B0AT1 INHIBITOR BCAT1, BCAT2, BHMT MEN1 363/4885KMT2A 327/4885NPSR1 3803/4885

“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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