SCHEMBL26316912

SCHEMBL26316912

Cc1ccc(/C=C/c2nc(COc3ccc(CCCCc4ncccn4)cc3)co2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 3/20 0.47
MINK1 Q8N4C8 1/20 0.47
FFAR1 O14842 4/20 0.37
CYSLTR1 Q9Y271 3/20 0.35
CYSLTR2 Q9NS75 2/20 0.35
MAPT P10636 2/20 0.35
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
GRM5 P41594 1/20 0.33
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
KLKB1 P03952 1/20 0.32
ATP4A P20648 1/20 0.32
ATP4B P51164 1/20 0.32

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
SCHEMBL26316918 0.92 ERBB2 (0.46) ERBB2MINK1FFAR1CYSLTR1CYSLTR2
SCHEMBL26316800 0.92 ERBB2 (0.50) ERBB2MINK1FFAR1CYSLTR1CYSLTR2
SCHEMBL26316719 0.90 ERBB2 (0.46) ERBB2MINK1FFAR1CYSLTR1CYSLTR2
SCHEMBL24112053 0.90 ERBB2 (0.45) ERBB2MINK1FFAR1MAPTGRM5
SCHEMBL26316807 0.89 ERBB2 (0.46) ERBB2MINK1FFAR1CYSLTR1CYSLTR2
SCHEMBL26316909 0.89 ERBB2 (0.46) ERBB2MINK1FFAR1CYSLTR1CYSLTR2
SCHEMBL26316802 0.88 ERBB2 (0.45) ERBB2MINK1FFAR1MAPTGRM5
SCHEMBL22398232 0.88 ERBB2 (0.56) ERBB2MINK1FFAR1CYSLTR1CYSLTR2
SCHEMBL22398231 0.88 ERBB2 (0.56) ERBB2MINK1FFAR1CYSLTR1CYSLTR2
SCHEMBL24112005 0.87 ERBB2 (0.54) ERBB2MINK1FFAR1MAPTGRM5

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 2 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-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof Université de Montréal (CA) 2023-09-19 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 (2 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 1781/4885FFAR1 4743/4885
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, NUTF2 ERBB2 2443/4885MINK1 1986/4885FFAR1 4637/4885

“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.