SCHEMBL29601910

SCHEMBL29601910

COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.41
CTSK P43235 3/20 0.41
CTSL P07711 1/20 0.40
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
AAK1 Q2M2I8 2/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL20473299 1.00 CTSS (0.41) CTSSCTSKCTSLHDAC4HDAC1
SCHEMBL20473295 0.92 CTSS (0.44) CTSSCTSKCTSLHDAC4HDAC1
SCHEMBL30374901 0.90 AAK1 (0.49) CTSSCTSKHDAC4HDAC1AAK1
SCHEMBL29042833 0.90 AAK1 (0.49) CTSSCTSKHDAC4HDAC1AAK1
SCHEMBL20473276 0.89 SMN1; SMN2 (0.47) MAPTALDH1A1GAASMN1; SMN2PPARG
SCHEMBL19006724 0.89 SMN1; SMN2 (0.47) MAPTALDH1A1GAASMN1; SMN2PPARG
SCHEMBL21272080 0.87 AAK1 (0.51) CTSSCTSKCTSLAAK1
SCHEMBL21272077 0.87 AAK1 (0.51) CTSSCTSKCTSLAAK1
SCHEMBL20473233 0.85 CCR9 (0.45) CTSSCTSKCTSLHDAC4HDAC1
SCHEMBL19006591 0.85 CCR9 (0.45) CTSSCTSKCTSLHDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119192183-A Benzodiazepines class of compounds and uses thereof 中国药科大学 2024-12-27 CN disclosed
US-20230416258-A1 BENZODIAZEPINE COMPOUNDS, AND PREPARATION METHOD THEREFOR AND USE THEREOF CHINA PHARMACEUTICAL UNIVERSITY (CN) 2023-12-28 US disclosed
CN-116507628-A Novel benzodiazepine compound, preparation method and application thereof 中国药科大学 2023-07-28 CN disclosed
CN-110418791-B Injection composition comprising benzodiazepine compound and method for preparing the same 四川科伦博泰生物医药股份有限公司 2022-07-01 CN disclosed
CN-114456171-A Benzodiazepine medicine for sedation and hypnosis, preparation method and application thereof 中国药科大学 2022-05-10 CN 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-20230416258-A1 BENZODIAZEPINE COMPOUNDS, AND PREPARATION METHOD THEREFOR AND USE THEREOF GABRA4, GABRA1, GABRA5 CTSS 3607/4885CTSK 4502/4885CTSL 2211/4885

“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.