SCHEMBL22397933

SCHEMBL22397933

CN(C)C(=O)OCCc1cn(CCCCc2ccc(OCc3coc(/C=C/c4ccc(C(F)(F)F)cc4)n3)cc2)nn1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 14/20 0.65
MINK1 Q8N4C8 1/20 0.65
HDAC1 Q13547 1/20 0.37
ADRB2 P07550 1/20 0.35
ALOX5 P09917 1/20 0.35
CA9 Q16790 1/20 0.35
PPARA Q07869 1/20 0.34
NCF1 P14598 1/20 0.34

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
SCHEMBL26316711 0.92 ERBB2 (0.53) ERBB2MINK1HDAC1ADRB2ALOX5
SCHEMBL24112040 0.89 ERBB2 (0.61) ERBB2MINK1HDAC1ADRB2ALOX5
SCHEMBL22397974 0.89 ERBB2 (0.64) ERBB2MINK1PPARA
SCHEMBL22397971 0.89 ERBB2 (0.64) ERBB2MINK1PPARA
SCHEMBL24112023 0.88 ERBB2 (0.60) ERBB2MINK1HDAC1ADRB2CA9
SCHEMBL24112024 0.87 ERBB2 (0.72) ERBB2MINK1HDAC1ADRB2
SCHEMBL22398312 0.87 ERBB2 (0.68) ERBB2MINK1HDAC1PPARA
SCHEMBL28470391 0.87 ERBB2 (0.68) ERBB2MINK1HDAC1PPARA
SCHEMBL24111968 0.86 ERBB2 (0.71) ERBB2MINK1HDAC1ADRB2
SCHEMBL5751224 0.86 ERBB2 (0.73) ERBB2MINK1

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 4 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
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 1781/4885HDAC1 190/4885
US-20210387980-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF IDH2, TFAM, NUTF2 ERBB2 2443/4885MINK1 1986/4885HDAC1 255/4885
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, NUTF2 ERBB2 2443/4885MINK1 1986/4885HDAC1 255/4885

“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.