SCHEMBL19063874

SCHEMBL19063874

CC(C)(C)OC(=O)N1CC(NC(=O)OCc2ccccc2)C(OC(=O)c2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ BACE1 P56817 6/20 0.45
▸ BACE2 Q9Y5Z0 2/20 0.44
▸ ATM Q13315 1/20 0.44
▸ PDE4B Q07343 1/20 0.42
▸ USP30 Q70CQ3 1/20 0.42
▸ NT5E P21589 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ BRD4 O60885 1/20 0.40
▸ BRD2 P25440 1/20 0.40
▸ BRD3 Q15059 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL19063875 1.00 BCHE (0.45) BCHETDP1BACE1BACE2ATM
SCHEMBL20549043 1.00 BCHE (0.45) BCHETDP1BACE1BACE2ATM
SCHEMBL2348371 0.94 BCHE (0.44) BCHETDP1BACE1BACE2ATM
SCHEMBL2348366 0.94 BCHE (0.44) BCHETDP1BACE1BACE2ATM
SCHEMBL20549100 0.87 BCHE (0.46) BCHETDP1BACE1BACE2ATM
SCHEMBL20549101 0.87 BCHE (0.46) BCHETDP1BACE1BACE2ATM
SCHEMBL19063652 0.87 BCHE (0.46) BCHETDP1BACE1BACE2ATM
SCHEMBL30161883 0.87 PDE4B (0.48) BCHETDP1ATMPDE4BNT5E
SCHEMBL28809281 0.87 PDE4B (0.47) BCHETDP1ATMPDE4BNT5E
SCHEMBL28809883 0.87 PDE4B (0.48) BCHETDP1ATMPDE4BNT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3400228-B1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF TABOMEDEX BIOSCIENCES INC (US) 2022-04-13 — — EP disclosed
US-10562909-B2 Fused quadracyclic compounds, compositions and uses thereof Tabomedex Biosciences, LLC (US) 2020-02-18 — — US disclosed
EP-3400228-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Tabomedex Biosciences, LLC (US) 2018-11-14 — — EP disclosed
US-20180319809-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Tabomedex Biosciences, LLC 2018-11-08 — — US disclosed
US-10059718-B2 Fused quadracyclic compounds, compositions and uses thereof Tabomedex Biosciences, LLC (US) 2018-08-28 — — US disclosed
WO-2017120164-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Tabomedex Biosciences, LLC (US) 2017-07-13 — — WO disclosed
US-20170190713-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF WUXI APPTEC (HONG KONG) CO., LIMITED (HK) 2017-07-06 — — US 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 (4 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-20180319809-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF MKNK2, CYP2J2, PTGS2 BCHE 4165/4885TDP1 4112/4885BACE1 4362/4885
US-10059718-B2 Fused quadracyclic compounds, compositions and uses thereof MKNK2, CYP2J2, PTGS2 BCHE 4165/4885TDP1 4112/4885BACE1 4362/4885
US-10562909-B2 Fused quadracyclic compounds, compositions and uses thereof MKNK2, CYP2J2, PTGS2 BCHE 4165/4885TDP1 4112/4885BACE1 4362/4885
US-20170190713-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF MKNK2, CYP2J2, PTGS2 BCHE 4165/4885TDP1 4112/4885BACE1 4362/4885

“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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