SCHEMBL21130775

SCHEMBL21130775

CC(C)(C)CCCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.67
▸ MEN1 O00255 1/20 0.58
▸ ABL1 P00519 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ PKM P14618 1/20 0.58
▸ IDE P14735 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ RIN1 Q13671 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ PLCD1 P51178 1/20 0.57
▸ CA12 O43570 2/20 0.57
▸ CA1 P00915 2/20 0.57
▸ CA2 P00918 2/20 0.57
▸ CA9 Q16790 2/20 0.57
▸ ITGB1 P05556 1/20 0.57
▸ ITGA4 P13612 1/20 0.57
▸ F2 P00734 1/20 0.56
▸ PRSS1 P07477 1/20 0.56
▸ PRSS2 P07478 1/20 0.56

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
SCHEMBL17703304 0.99 TDP1 (0.68) TDP1MEN1ABL1LMNAPKM
SCHEMBL18779801 0.91 TDP1 (0.78) TDP1MEN1ABL1LMNAPKM
SCHEMBL22493327 0.91 TDP1 (0.64) TDP1MEN1ABL1LMNAPKM
SCHEMBL21340482 0.90 TDP1 (0.67) TDP1MEN1ABL1LMNAPKM
SCHEMBL17522651 0.89 F2 (0.61) TDP1MEN1ABL1LMNAPKM
SCHEMBL18905056 0.89 F2 (0.61) TDP1MEN1ABL1LMNAPKM
SCHEMBL23074456 0.88 TDP1 (0.71) TDP1MEN1ABL1LMNAPKM
SCHEMBL21958988 0.88 TDP1 (0.71) TDP1MEN1ABL1LMNAPKM
SCHEMBL24653244 0.88 TDP1 (0.71) TDP1MEN1ABL1LMNAPKM
SCHEMBL23571294 0.88 TDP1 (0.71) TDP1MEN1ABL1LMNAPKM

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-10710975-B2 Oxopiperazine derivatives Inthera Bioscience AG (CH) 2020-07-14 — — US disclosed
US-20190185449-A1 OXOPIPERAZINE DERIVATIVES Inthera Bioscience AG (CH) 2019-06-20 — — 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-10710975-B2 Oxopiperazine derivatives CYP3A5, AQP1, AVPR2 TDP1 2694/4885MEN1 4224/4885ABL1 3669/4885
US-20190185449-A1 OXOPIPERAZINE DERIVATIVES CYP3A5, AQP1, AVPR2 TDP1 2694/4885MEN1 4224/4885ABL1 3669/4885

“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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