Sugi Predict

Sugi Predict / Compounds / SCHEMBL4592205

SCHEMBL4592205

SCHEMBL4592205

Oc1ccc(COCCn2ccnn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 6/20 0.44
▸ IDO1 P14902 2/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34
▸ LTA4H P09960 1/20 0.34
▸ ATP4A P20648 1/20 0.34
▸ ATP4B P51164 1/20 0.34
▸ PADI4 Q9UM07 2/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ESR1 P03372 2/20 0.31
▸ ESR2 Q92731 2/20 0.31

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
SCHEMBL5558170 0.86 CYP19A1 (0.39) CYP19A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL5564001 0.80 IDO1 (0.44) CYP19A1IDO1
SCHEMBL4592008 0.78 ALDH1A1 (0.38) CYP19A1ATP4AATP4B
SCHEMBL4564456 0.78 CYP19A1 (0.69) CYP19A1IDO1ESR1ESR2
SCHEMBL4557447 0.78 CYP19A1 (0.46) CYP19A1ADORA2AESR1ESR2
SCHEMBL5046467 0.77 DPP4 (0.42) CYP19A1ESR1ESR2
SCHEMBL5042822 0.77 KDR (0.33) CYP19A1ESR1ESR2
SCHEMBL9834056 0.77 CYP19A1 (0.41) CYP19A1ATP4AATP4B
SCHEMBL2749688 0.76 CYP19A1 (0.45) CYP19A1ADORA2AESR1ESR2
SCHEMBL5046643 0.75 ATP4A (0.52) CYP19A1LTA4HATP4AATP4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20210387980-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF Université de Montréal (CA) 2021-12-16 — — US disclosed
WO-2006032509-A1 INDOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-30 — — WO disclosed
US-20060063812-A1 Indole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-03-23 — — US disclosed
WO-2005116020-A1 2-STYRYL-4-OXAZOLE-METHANOL-ETHERS AND THEIR USE AS TYROSINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-08 — — WO disclosed
US-20050267178-A1 Novel benzylether derivatives HOFFMANN-LA ROCHE INC. 2005-12-01 — — US disclosed
WO-2005095393-A1 OXIDIZED THIOETHER DERIVATIVES OF STYRYL-AZOLES AND THEIR USE AS HER TYROSINE KINASES INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-13 — — WO disclosed
WO-2005095388-A1 PENTAFLUOROSULFANYL COMPOUNDS, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-13 — — WO disclosed
WO-2005090338-A1 ETHER DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-29 — — WO disclosed
US-20050209290-A1 Novel ether derivatives F. HOFFMAN-LA ROCHE AG (CH) 2005-09-22 — — US disclosed
US-20050203064-A1 Novel oxidized thioether derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 — — US disclosed
US-20050197370-A1 Novel pentafluorosulfanyl compounds HOFFMANN-LA ROCHE INC. 2005-09-08 — — 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 (9 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-20050197370-A1 Novel pentafluorosulfanyl compounds SF3B5, SF3B1, SF3B3 CYP19A1 635/4885IDO1 3765/4885HDAC3 1510/4885
US-20050267178-A1 Novel benzylether derivatives UGT2B7, CYP11B2, UGT2B17 CYP19A1 75/4885IDO1 4857/4885HDAC3 1164/4885
US-20230357221-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF IDH2, TFAM, IDH1 CYP19A1 1319/4885IDO1 3061/4885HDAC3 463/4885
US-20050203064-A1 Novel oxidized thioether derivatives SULT1E1, CYP4F3, GPX4 CYP19A1 229/4885IDO1 3562/4885HDAC3 2405/4885
US-12286426-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, IDH1 CYP19A1 1319/4885IDO1 3061/4885HDAC3 463/4885
US-20210387980-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF IDH2, TFAM, NUTF2 CYP19A1 1109/4885IDO1 3191/4885HDAC3 519/4885
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, NUTF2 CYP19A1 1109/4885IDO1 3191/4885HDAC3 519/4885
US-20060063812-A1 Indole derivatives IDO1, IDO2, TPH1 CYP19A1 45/4885IDO1 1/4885HDAC3 1084/4885
US-20050209290-A1 Novel ether derivatives CYP2E1, CYP11B1, CYP11B2 CYP19A1 125/4885IDO1 4510/4885HDAC3 283/4885

“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.