SCHEMBL22397885

SCHEMBL22397885

Fc1ccccc1/C=C/c1nc(COc2ccc(CCCCn3ccnn3)cc2)co1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 2/20 0.70
MINK1 Q8N4C8 1/20 0.70
ATP4A P20648 1/20 0.36
ATP4B P51164 1/20 0.36
FFAR1 O14842 3/20 0.35
MAPT P10636 2/20 0.32
CYSLTR2 Q9NS75 2/20 0.31
CYSLTR1 Q9Y271 2/20 0.31
MAOB P27338 1/20 0.30
HMOX1 P09601 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
SCHEMBL22397888 1.00 ERBB2 (0.70) ERBB2MINK1ATP4AATP4BFFAR1
SCHEMBL24112046 0.92 ERBB2 (0.70) ERBB2MINK1ATP4AATP4BFFAR1
SCHEMBL31130671 0.92 ERBB2 (0.70) ERBB2MINK1ATP4AATP4BFFAR1
SCHEMBL28469077 0.92 ERBB2 (0.70) ERBB2MINK1ATP4AATP4BFFAR1
SCHEMBL3674173 0.91 ERBB2 (0.71) ERBB2MINK1ATP4AATP4BFFAR1
SCHEMBL3674176 0.91 ERBB2 (0.71) ERBB2MINK1ATP4AATP4BFFAR1
SCHEMBL22398105 0.90 ERBB2 (0.68) ERBB2MINK1ATP4AATP4BFFAR1
SCHEMBL6582276 0.90 ERBB2 (0.68) ERBB2MINK1ATP4AATP4BFFAR1
SCHEMBL28475304 0.90 ERBB2 (0.68) ERBB2MINK1ATP4AATP4BFFAR1
SCHEMBL6582279 0.90 ERBB2 (0.68) ERBB2MINK1ATP4AATP4BFFAR1

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 12 patents. 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
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
US-20210387980-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF Université de Montréal (CA) 2021-12-16 US 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

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 ERBB2 2558/4885MINK1 1781/4885ATP4A 1129/4885
US-12286426-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, IDH1 ERBB2 2558/4885MINK1 1781/4885ATP4A 1129/4885
US-20210387980-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF IDH2, TFAM, NUTF2 ERBB2 2443/4885MINK1 1986/4885ATP4A 1802/4885
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, NUTF2 ERBB2 2443/4885MINK1 1986/4885ATP4A 1802/4885

“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.