SCHEMBL22398129

SCHEMBL22398129

Fc1cc(C(F)(F)F)ccc1/C=C/c1nc(COc2ccc(OCCCn3ccnn3)cc2)co1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 12/20 0.66
MINK1 Q8N4C8 1/20 0.66
NOS1 P29475 3/20 0.35
ATP4A P20648 1/20 0.35
ATP4B P51164 1/20 0.35
NCF1 P14598 3/20 0.35
TLR9 Q9NR96 1/20 0.33

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
SCHEMBL22398126 0.93 ERBB2 (0.75) ERBB2MINK1
SCHEMBL28469047 0.93 ERBB2 (0.75) ERBB2MINK1
SCHEMBL22397980 0.92 ERBB2 (0.61) ERBB2MINK1NOS1
SCHEMBL28480737 0.92 ERBB2 (0.61) ERBB2MINK1NOS1
SCHEMBL5383443 0.92 ERBB2 (0.79) ERBB2MINK1NOS1
SCHEMBL5383448 0.92 ERBB2 (0.79) ERBB2MINK1NOS1
SCHEMBL28472184 0.91 ERBB2 (0.62) ERBB2MINK1NCF1
SCHEMBL28476066 0.91 ERBB2 (0.58) ERBB2MINK1
SCHEMBL22398346 0.91 ERBB2 (0.58) ERBB2MINK1
SCHEMBL22397878 0.91 ERBB2 (0.62) ERBB2MINK1NCF1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20210387980-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF Université de Montréal (CA) 2021-12-16 US 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 (3 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 1781/4885NOS1 1349/4885
US-20210387980-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF IDH2, TFAM, NUTF2 ERBB2 2443/4885MINK1 1986/4885NOS1 1696/4885
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, NUTF2 ERBB2 2443/4885MINK1 1986/4885NOS1 1696/4885

“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.