SCHEMBL20549101

SCHEMBL20549101

CC(C)(C)OC(=O)N1C[C@H](CNC(=O)OCc2ccccc2)[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.44
▸ ATM Q13315 1/20 0.43
▸ NT5E P21589 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ BACE1 P56817 4/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ BACE2 Q9Y5Z0 1/20 0.39

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
SCHEMBL19063652 1.00 BCHE (0.46) BCHETDP1ATMNT5EKMT2A
SCHEMBL20549100 1.00 BCHE (0.46) BCHETDP1ATMNT5EKMT2A
SCHEMBL19063874 0.87 BCHE (0.45) BCHETDP1ATMNT5EKMT2A
SCHEMBL19063875 0.87 BCHE (0.45) BCHETDP1ATMNT5EKMT2A
SCHEMBL20549043 0.87 BCHE (0.45) BCHETDP1ATMNT5EKMT2A
SCHEMBL2348366 0.84 BCHE (0.44) BCHETDP1ATMNT5EKMT2A
SCHEMBL2348371 0.84 BCHE (0.44) BCHETDP1ATMNT5EKMT2A
SCHEMBL19098658 0.84 ALDH1A1 (0.47) BCHEKMT2AALDH1A1MAPTLMNA
SCHEMBL31566991 0.82 ABCB1 (0.46) KMT2APKMMAPTABCB1NPC1
SCHEMBL13382281 0.82 ABCB1 (0.46) KMT2APKMMAPTABCB1NPC1

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-10562909-B2 Fused quadracyclic compounds, compositions and uses thereof Tabomedex Biosciences, LLC (US) 2020-02-18 — — US disclosed
US-20180319809-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Tabomedex Biosciences, LLC 2018-11-08 — — 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 (2 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 4112/4885ATM 3068/4885
US-10562909-B2 Fused quadracyclic compounds, compositions and uses thereof MKNK2, CYP2J2, PTGS2 BCHE 4165/4885TDP1 4112/4885ATM 3068/4885

“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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