Sugi Predict

Sugi Predict / Compounds / SCHEMBL595139

SCHEMBL595139

SCHEMBL595139

N#Cc1ccc(Oc2ccc(Br)c(CO)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP15 Q460N3 1/20 0.44
▸ PARP10 Q53GL7 1/20 0.44
▸ PARP2 Q9UGN5 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ IL18 Q14116 1/20 0.43
▸ CHRM1 P11229 1/20 0.42
▸ PDE4A P27815 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ PDE1A P54750 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ PDE4C Q08493 1/20 0.42
▸ PDE4D Q08499 1/20 0.42

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
Acetic Acid SCHEMBL28488605 0.92 PARP15 (0.44) PARP15PARP10PARP2KDM4EMEN1
SCHEMBL596525 0.88 PARP15 (0.44) PARP15PARP10PARP2KDM4EMEN1
SCHEMBL29011936 0.86 PARP15 (0.41) PARP15PARP10PARP2KDM4EMEN1
SCHEMBL22053375 0.84 PARP15 (0.46) PARP15PARP10PARP2KDM4EMEN1
SCHEMBL597069 0.83 MAOB (0.46) PDE4BCYP19A1
SCHEMBL29878722 0.83 PARP15 (0.45) PARP15PARP10PARP2KDM4EMEN1
SCHEMBL22054378 0.83 PARP15 (0.45) PARP15PARP10PARP2KDM4EMEN1
SCHEMBL596358 0.82 PDE4B (0.49) KDM4EPDE4BSCN9ACYP11B1CYP11B2
SCHEMBL2526742 0.82 KCNH2 (0.48) CYP19A1SLC6A4
SCHEMBL21241616 0.82 CACNA1G (0.41) PARP15PARP10PARP2KDM4EMEN1

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 142 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115093345-A Synthesis method of Kelibaro impurity 天津辰欣药物研究有限公司 2022-09-23 — — CN claimed
WO-2018115362-A1 PROCESS FOR PREPARING 4-[(1-HYDROXY-1,3-DIHYDRO-2,1-BENZOXABOROL-5-YL)OXY]BENZONITRILE (CRISABOROLE) LABORATORIOS LESVI, SL (ES) 2018-06-28 — — WO claimed
CN-121021546-A Preparation method of clenbuterol and intermediate thereof 浙江华海药业股份有限公司 2025-11-28 — — CN disclosed
CN-120081860-A Preparation method of clenbuterol impurity 杭州国瑞生物科技有限公司 2025-06-03 — — CN disclosed
CN-115215766-B Keli borol Process for the preparation of intermediates 安徽普利药业有限公司 2024-11-15 — — CN disclosed
US-20240358728-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, LLC (US) 2024-10-31 — — US disclosed
CN-113801089-B Preparation method of clenbuterol intermediate 鲁南制药集团股份有限公司 2024-03-15 — — CN disclosed
US-11708382-B2 Process for the preparation of highly pure Crisaborole HALCYON LABS PRIVATE LIMITED (IN) 2023-07-25 — — US disclosed
US-11708382-B2 Process for the preparation of highly pure Crisaborole HALCYON LABS PRIVATE LIMITED (IN) 2023-07-25 — — US disclosed
CN-116239498-B Method for preparing clenbuterol intermediate 北京元延医药科技股份有限公司 2023-07-21 — — CN disclosed
CN-116253756-B Preparation method of clenbuterol 北京元延医药科技股份有限公司 2023-07-18 — — CN disclosed
US-20070286822-A1 Compounds for the Treatment of Periodontal Disease ANACOR PHARMACEUTICALS INC. (US) 2007-12-13 — — US disclosed
EP-1853251-A2 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2007-11-14 — — EP disclosed
WO-2007095638-A2 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2007-08-23 — — WO disclosed
WO-2007078340-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2007-07-12 — — WO disclosed
WO-2007078340-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2007-07-12 — — WO disclosed
US-20070155699-A1 Boron-containing small molecules ANACOR PHARMACEUTICALS (US) 2007-07-05 — — US disclosed
US-20070155699-A1 Boron-containing small molecules ANACOR PHARMACEUTICALS (US) 2007-07-05 — — US disclosed
US-20060234981-A1 Boron-containing small molecules ANACOR PHARMACEUTICALS (US) 2006-10-19 — — US disclosed
WO-2006089067-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2006-08-24 — — 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 (5 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-20060234981-A1 Boron-containing small molecules ETF1, POLR1C, DPM1 PARP15 2041/4885PARP10 2136/4885PARP2 3825/4885
US-20070286822-A1 Compounds for the Treatment of Periodontal Disease BPGM, HMBS, PPIP5K2 PARP15 2683/4885PARP10 2515/4885PARP2 1748/4885
US-20240358728-A1 BORON CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, LRBA PARP15 2209/4885PARP10 2243/4885PARP2 1010/4885
US-20070155699-A1 Boron-containing small molecules ETF1, POLR1C, DPM1 PARP15 2041/4885PARP10 2136/4885PARP2 3825/4885
US-11708382-B2 Process for the preparation of highly pure Crisaborole SQLE, UGT2B17, CYP2C19 PARP15 1370/4885PARP10 2750/4885PARP2 4160/4885

“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.