Sugi Predict

Sugi Predict / Compounds / SCHEMBL4783529

SCHEMBL4783529

SCHEMBL4783529

COc1ccc(C(=O)CCCn2ccnn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 1/20 0.54
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ HDAC8 Q9BY41 2/20 0.49
▸ HDAC1 Q13547 2/20 0.49
▸ HTR1A P08908 1/20 0.48
▸ DRD2 P14416 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ SLC6A4 P31645 1/20 0.48
▸ HTR7 P34969 1/20 0.48
▸ HRH1 P35367 1/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ HTR2B P41595 1/20 0.48
▸ MAPT P10636 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ HTT P42858 1/20 0.47

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
SCHEMBL5187515 0.94 PDE4B (0.48) PDE4BNPC1RAB9AHDAC8HDAC1
SCHEMBL4731198 0.84 HTT (0.54) PDE4BNPC1RAB9ADRD2DRD3
SCHEMBL4783039 0.83 RAB9A (0.54) NPC1RAB9AHTR1ADRD2HTR2A
SCHEMBL22397927 0.77 MEN1 (0.55) NPC1RAB9ADRD2DRD3MAPT
SCHEMBL3171960 0.76 PDE4B (0.79) PDE4BNPC1RAB9AHDAC8HDAC1
SCHEMBL4082864 0.76 PDE4B (0.86) PDE4BNPC1RAB9AHDAC8HDAC1
Hydrochloric Acid SCHEMBL6762684 0.74 MEN1 (0.45) RAB9AMAPTMEN1KMT2ALMNA
SCHEMBL6761713 0.73 CALM1 (0.41) HDAC1POLB
SCHEMBL16552644 0.73 MMP1 (0.76) PDE4BNPC1RAB9AHDAC8HDAC1
SCHEMBL5566302 0.72 TBXAS1 (0.55) ALDH1A1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111961006-B Method for synthesizing intermediate of trilithiotinib triazole 同济大学 2023-03-28 — — CN claimed
CN-111961006-A Method for synthesizing intermediate of trilithiotinib triazole 同济大学 2020-11-20 — — CN claimed
US-12286426-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof Université de Montréal (CA) 2025-04-29 — — US disclosed
EP-3704111-B1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF UNIV MONTREAL (CA) 2024-10-09 — — EP disclosed
CN-111886234-B Heterocyclic mitochondrial activity inhibitors and uses thereof 蒙特利尔大学 2023-12-15 — — CN disclosed
US-20230357221-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF UNIV MONTREAL (CA) 2023-11-09 — — US disclosed
US-20230357221-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF UNIV MONTREAL (CA) 2023-11-09 — — US disclosed
US-20230357221-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF UNIV MONTREAL (CA) 2023-11-09 — — US disclosed
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof Université de Montréal (CA) 2023-09-19 — — US disclosed
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof Université de Montréal (CA) 2023-09-19 — — US disclosed
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof Université de Montréal (CA) 2023-09-19 — — US disclosed
CN-111961006-B Method for synthesizing intermediate of trilithiotinib triazole 同济大学 2023-03-28 — — CN disclosed
US-20210387980-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF Université de Montréal (CA) 2021-12-16 — — US disclosed
US-20210387980-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF Université de Montréal (CA) 2021-12-16 — — US disclosed
CN-111961006-A Method for synthesizing intermediate of trilithiotinib triazole 同济大学 2020-11-20 — — CN disclosed
CN-111961006-A Method for synthesizing intermediate of trilithiotinib triazole 同济大学 2020-11-20 — — CN disclosed
CN-111886234-A Heterocyclic mitochondrial activity inhibitors and uses thereof 蒙特利尔大学 2020-11-03 — — CN disclosed
EP-3704111-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF Université de Montréal (CA) 2020-09-09 — — EP disclosed
WO-2008034579-A1 2-HETEROCYCLYL-5-PHENOXYMETHYLPYRIDINE DERIVATIVES AS ANTICANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-27 — — WO disclosed
US-7288557-B2 For preventing or treating proliferative diseases and conditions such as cancer; eg 4-[1,2,3]Triazol-1-yl-1-(4-{2-[(E)-2-(4-trifluoromethoxy-phenyl)-vinyl]-oxazol-4-ylmethoxy}-phenyl)-butan-1-one HOFFMANN-LA ROCHE INC. (US) 2007-10-30 — — US 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 (4 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-20230357221-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF IDH2, TFAM, IDH1 PDE4B 3297/4885NPC1 3392/4885RAB9A 2806/4885
US-12286426-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, IDH1 PDE4B 3297/4885NPC1 3392/4885RAB9A 2806/4885
US-20210387980-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF IDH2, TFAM, NUTF2 PDE4B 3057/4885NPC1 3909/4885RAB9A 2786/4885
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, NUTF2 PDE4B 3057/4885NPC1 3909/4885RAB9A 2786/4885

“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.