SCHEMBL5046643

SCHEMBL5046643

Oc1ccc(OCCCn2ccnn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 1/20 0.52
ATP4B P51164 1/20 0.52
CYP19A1 P11511 3/20 0.47
LTA4H P09960 3/20 0.44
NR5A1 Q13285 1/20 0.44
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
QPCT Q16769 1/20 0.39
TBXAS1 P24557 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 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
SCHEMBL13201562 0.87 ATP4A (0.53) ATP4AATP4BCYP19A1LMNA
SCHEMBL14189706 0.85 ATP4A (0.52) ATP4AATP4BCYP19A1LMNAMEN1
SCHEMBL765017 0.84 QPCT (0.56) ATP4AATP4BCYP19A1DRD2DRD4
SCHEMBL18837867 0.84 ATP4A (0.52) ATP4AATP4BCYP19A1QPCTLMNA
SCHEMBL22397927 0.84 MEN1 (0.55) ATP4AATP4BCYP19A1DRD2DRD3
SCHEMBL5564341 0.84 ATP4A (0.52) ATP4AATP4BCYP19A1LTA4HQPCT
SCHEMBL10789116 0.82 CYP19A1 (0.43) ATP4AATP4BCYP19A1LTA4HNR5A1
SCHEMBL14996228 0.82 ATP4A (0.53) ATP4AATP4BCYP19A1LTA4HQPCT
SCHEMBL5566302 0.81 TBXAS1 (0.55) ATP4AATP4BCYP19A1TBXAS1LMNA
SCHEMBL16417747 0.81 MEN1 (0.59) ATP4AATP4BCYP19A1NPC1LMNA

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 28 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
CN-1930156-A Oxidized thioether derivatives of styryl-azoles and their use as HER tyrosine kinases inhibitors HOFFMANN LA ROCHE (CH) 2007-03-14 CN disclosed
EP-1727815-A1 ETHER DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2006-12-06 EP disclosed
EP-1725549-A1 PENTAFLUOROSULFANYL COMPOUNDS, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 EP disclosed
EP-1725551-A1 OXIDIZED THIOETHER DERIVATIVES OF STYRYL-AZOLES AND THEIR USE AS HER TYROSINE KINASES INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2006-11-29 EP 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 (7 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 ATP4A 3018/4885ATP4B 2457/4885CYP19A1 635/4885
US-20230357221-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF IDH2, TFAM, IDH1 ATP4A 1129/4885ATP4B 1452/4885CYP19A1 1319/4885
US-20050203064-A1 Novel oxidized thioether derivatives SULT1E1, CYP4F3, GPX4 ATP4A 1518/4885ATP4B 2077/4885CYP19A1 229/4885
US-12286426-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, IDH1 ATP4A 1129/4885ATP4B 1452/4885CYP19A1 1319/4885
US-20210387980-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF IDH2, TFAM, NUTF2 ATP4A 1802/4885ATP4B 2091/4885CYP19A1 1109/4885
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, NUTF2 ATP4A 1802/4885ATP4B 2091/4885CYP19A1 1109/4885
US-20050209290-A1 Novel ether derivatives CYP2E1, CYP11B1, CYP11B2 ATP4A 2125/4885ATP4B 2003/4885CYP19A1 125/4885

“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.