SCHEMBL25868575

SCHEMBL25868575

CC(C)(C)OC(=O)NCCNCCCCN1C(=O)c2cccc3cccc(c23)C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 3/20 0.60
▸ HEXA P06865 6/20 0.53
▸ HEXB P07686 6/20 0.53
▸ OGA O60502 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ BRD4 O60885 1/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ HDAC3 O15379 1/20 0.50
▸ LTA4H P09960 1/20 0.50
▸ HDAC4 P56524 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC7 Q8WUI4 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC10 Q969S8 1/20 0.50
▸ HDAC11 Q96DB2 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50

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
SCHEMBL24796373 0.88 HEXA (0.58) SIRT1HEXAHEXBOGAALDH1A1
SCHEMBL30675910 0.84 BRD4 (0.51) SIRT1BRD4
SCHEMBL12501840 0.83 MEN1 (0.55) KDM4EBRD4MEN1KMT2A
SCHEMBL8139824 0.83 BRD4 (0.53) BRD4HDAC3HDAC4HDAC1HDAC7
SCHEMBL31655700 0.82 TPSAB1 (0.54) ALDH1A1BRD4HDAC3HDAC4HDAC1
SCHEMBL9773851 0.82 TPSAB1 (0.54) ALDH1A1BRD4HDAC3HDAC4HDAC1
SCHEMBL22291518 0.82 TPSAB1 (0.54) ALDH1A1BRD4HDAC3HDAC4HDAC1
SCHEMBL25974776 0.79 MALT1 (0.52) ALDH1A1BRD4MEN1KMT2AHDAC3
SCHEMBL13909963 0.79 SIRT1 (0.94) SIRT1HEXAHEXBOGAALDH1A1
Bnipdeta SCHEMBL13909965 0.79 SIRT1 (0.88) SIRT1HEXAHEXBOGAALDH1A1

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-20230373929-A1 FUSED RING DIIMIDE DERIVATIVE, PREPARATION METHOD AND USE THEREOF XIANGBEI WELMAN PHARMACEUTICAL CO., LTD. (CN) 2023-11-23 — — US disclosed
US-20230373929-A1 FUSED RING DIIMIDE DERIVATIVE, PREPARATION METHOD AND USE THEREOF XIANGBEI WELMAN PHARMACEUTICAL CO., LTD. (CN) 2023-11-23 — — US disclosed
EP-4215521-A1 FUSED RING DIIMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF Xiangbei Welman Pharmaceutical Co., Ltd (CN) 2023-07-26 — — EP 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-20230373929-A1 FUSED RING DIIMIDE DERIVATIVE, PREPARATION METHOD AND USE THEREOF WEE1, CYP51A1, WEE2 SIRT1 895/4885HEXA 4639/4885HEXB 4682/4885

“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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