SCHEMBL22032079

SCHEMBL22032079

OB(O)c1cnc(N2CC(O)C2)nc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.33
ACACB O00763 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30

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
SCHEMBL25195345 0.86 AOC3 (0.47) AOC3ACACBHDAC6
SCHEMBL25195344 0.86 AOC3 (0.47) AOC3ACACBHDAC6
SCHEMBL24184094 0.86 AOC3 (0.47) AOC3ACACBHDAC6
SCHEMBL17202082 0.83 RBP4 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18539060 0.83 CHRM4 (0.32) ACACB
SCHEMBL18150782 0.81 SMO (0.40) AOC3
SCHEMBL22084736 0.80 HDAC3 (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18128074 0.80 MTOR (0.31)
SCHEMBL22733710 0.79 MTOR (0.38) ACACB
SCHEMBL20796804 0.79 HDAC6 (0.43) AOC3HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3891158-B1 MAP4K4 INHIBITORS IMPERIAL COLLEGE INNOVATIONS LTD (GB) 2025-09-10 EP disclosed
US-12247045-B2 MAP4K4 inhibitors IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2025-03-11 US disclosed
CN-115916777-B ATX inhibitor and preparation method and application thereof 苏州爱科百发生物医药技术有限公司 2024-07-12 CN disclosed
US-20230295159-A1 ATX INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF SUZHOU ARK BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-21 US disclosed
US-20230295159-A1 ATX INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF SUZHOU ARK BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-21 US disclosed
EP-4180430-A1 ATX INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Suzhou Ark Biopharmaceutical Co., Ltd (CN) 2023-05-17 EP disclosed
EP-4180430-A1 ATX INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Suzhou Ark Biopharmaceutical Co., Ltd (CN) 2023-05-17 EP disclosed
CN-115916777-A ATX inhibitor and preparation method and application thereof 苏州爱科百发生物医药技术有限公司 2023-04-04 CN disclosed
US-20230055250-A1 MAP4K4 INHIBITORS IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-02-23 US disclosed
US-20230055250-A1 MAP4K4 INHIBITORS IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-02-23 US disclosed
WO-2022007882-A1 ATX INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 苏州爱科百发生物医药技术有限公司 2022-01-13 WO disclosed
EP-3891158-A1 MAP4K4 INHIBITORS Imperial College of Science, Technology and Medicine (GB) 2021-10-13 EP disclosed
WO-2020115481-A1 MAP4K4 INHIBITORS IMPERIAL COLLEGE OF SCIENCE, TECHNOLOGY AND MEDICINE (GB) 2020-06-11 WO disclosed
WO-2020115481-A1 MAP4K4 INHIBITORS IMPERIAL COLLEGE OF SCIENCE, TECHNOLOGY AND MEDICINE (GB) 2020-06-11 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 (3 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-20230055250-A1 MAP4K4 INHIBITORS MAP4K4, MAP4K5, MAP4K1 AOC3 3838/4885ACACB 886/4885HDAC3 1463/4885
US-20230295159-A1 ATX INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF ATXN10, GCG, ATXN2L AOC3 2866/4885ACACB 3126/4885HDAC3 2018/4885
US-12247045-B2 MAP4K4 inhibitors MAP4K4, MAP4K5, MAP4K1 AOC3 3838/4885ACACB 886/4885HDAC3 1463/4885

“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.