SCHEMBL25868576

SCHEMBL25868576

NCCNCCCCN1C(=O)c2cccc3cccc(c23)C1=O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 3/20 0.79
HEXA P06865 6/20 0.76
HEXB P07686 6/20 0.76
OGA O60502 1/20 0.70
LCK P06239 1/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 2/20 0.56
HDAC3 O15379 2/20 0.56
HDAC4 P56524 2/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC7 Q8WUI4 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC9 Q9UKV0 2/20 0.56
HDAC5 Q9UQL6 2/20 0.56
NCOR2 Q9Y618 2/20 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
SCHEMBL13909963 0.91 SIRT1 (0.94) SIRT1HEXAHEXBOGAMEN1
SCHEMBL3292141 0.90 SIRT1 (0.81) SIRT1HEXAHEXBOGALCK
Hydrochloric Acid SCHEMBL5748029 0.90 HEXA (0.82) SIRT1HEXAHEXBOGALCK
SCHEMBL9092483 0.90 HEXA (0.82) SIRT1HEXAHEXBOGALCK
Bnipdadec SCHEMBL13909967 0.90 SIRT1 (0.97) SIRT1HEXAHEXBOGAMEN1
Bnipspd SCHEMBL13909975 0.90 SIRT1 (0.91) SIRT1HEXAHEXBOGAMEN1
SCHEMBL13909960 0.90 SIRT1 (0.97) SIRT1HEXAHEXBOGAMEN1
Bnipdanon SCHEMBL13909969 0.90 SIRT1 (0.97) SIRT1HEXAHEXBOGAMEN1
SCHEMBL13909961 0.90 SIRT1 (0.97) SIRT1HEXAHEXBOGAMEN1
SCHEMBL13909968 0.90 SIRT1 (0.97) SIRT1HEXAHEXBOGAMEN1

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.