SCHEMBL26316570

SCHEMBL26316570

CCOC(=O)c1nnn(CCCCc2ccc(OCc3coc(/C=C/c4ccc(C)cc4)n3)cc2)c1C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.51
MINK1 Q8N4C8 1/20 0.51
LMNA P02545 3/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
CYP19A1 P11511 1/20 0.35
MAOB P27338 2/20 0.34
MAPT P10636 1/20 0.34
TP53 P04637 2/20 0.34
FFAR1 O14842 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ADORA2A P29274 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PLA2G4A P47712 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
SCHEMBL22398111 0.92 ERBB2 (0.63) ERBB2MINK1MAOBTP53FFAR1
SCHEMBL22398109 0.92 ERBB2 (0.63) ERBB2MINK1MAOBTP53FFAR1
SCHEMBL26316840 0.84 ERBB2 (0.54) ERBB2MINK1LMNAMAPK1CYP19A1
SCHEMBL26316575 0.81 ERBB2 (0.54) ERBB2MINK1CYP19A1FFAR1SMN1; SMN2
SCHEMBL28469612 0.79 ERBB2 (0.67) ERBB2MINK1FFAR1
SCHEMBL3668064 0.78 ERBB2 (0.80) ERBB2MINK1CYP19A1MAPTFFAR1
SCHEMBL3668068 0.78 ERBB2 (0.80) ERBB2MINK1CYP19A1MAPTFFAR1
SCHEMBL26316636 0.78 ERBB2 (0.48) ERBB2MINK1MAOBFFAR1
SCHEMBL26316563 0.78 ERBB2 (0.54) ERBB2MINK1LMNAMAPK1FFAR1
SCHEMBL5753206 0.77 ERBB2 (0.66) ERBB2MINK1LMNAMAOBALDH1A1

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 1781/4885LMNA 1657/4885
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, NUTF2 ERBB2 2443/4885MINK1 1986/4885LMNA 1563/4885

“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.