SCHEMBL29265376

SCHEMBL29265376

CC(C)(C)OC(=O)NCCCCCn1cc([N+](=O)[O-])c(Br)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.43
▸ CA12 O43570 4/20 0.42
▸ CA1 P00915 4/20 0.42
▸ CA2 P00918 4/20 0.42
▸ CA9 Q16790 4/20 0.42
▸ BRD4 O60885 2/20 0.41
▸ DRD2 P14416 7/20 0.40
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37

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
SCHEMBL29265250 0.86 DRD2 (0.44) TDP1CA12CA1CA2CA9
SCHEMBL25405883 0.86 BRD4 (0.43) TDP1CA12CA1CA2CA9
SCHEMBL30380364 0.86 DRD2 (0.44) TDP1CA12CA1CA2CA9
SCHEMBL29265248 0.86 DRD2 (0.44) TDP1CA12CA1CA2CA9
SCHEMBL31376155 0.85 DRD2 (0.43) TDP1CA12CA1CA2CA9
SCHEMBL29265249 0.85 BRD4 (0.42) TDP1CA12CA1CA2CA9
SCHEMBL29265374 0.82 DRD2 (0.42) TDP1CA12CA1CA2CA9
SCHEMBL29265377 0.80 ESR1 (0.34) TDP1ALDH1A1
SCHEMBL29265242 0.78 ALDH1A1 (0.47) TDP1CA12CA1CA2CA9
SCHEMBL25407920 0.76 TDP1 (0.45) TDP1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240342318-A1 CONJUGATES COMPRISING COVALENT BINDERS FOR TARGETING INTRACELLULAR PROTEINS RAYZEBIO, INC. 2024-10-17 — — US disclosed
EP-4380937-A1 CONJUGATES COMPRISING COVALENT BINDERS FOR TARGETING INTRACELLULAR PROTEINS Rayzebio, Inc. (US) 2024-06-12 — — EP disclosed
CN-118176194-A Conjugates comprising covalent binding agents for targeting intracellular proteins 瑞择生物公司 2024-06-11 — — CN disclosed
WO-2023014988-A1 CONJUGATES COMPRISING COVALENT BINDERS FOR TARGETING INTRACELLULAR PROTEINS RAYZEBIO, INC. (US) 2023-02-09 — — 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-20240342318-A1 CONJUGATES COMPRISING COVALENT BINDERS FOR TARGETING INTRACELLULAR PROTEINS CD2BP2, TP53, CAB39 TDP1 2872/4885CA12 1634/4885CA1 1712/4885

“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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