SCHEMBL22397920

SCHEMBL22397920

FC(F)(F)c1ccc(/C=C/c2nc(COc3ccc(CCCCn4cncn4)cc3)co2)c(Oc2ccc(CCCCn3cncn3)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 4/20 0.57
MINK1 Q8N4C8 1/20 0.57
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.37
ALOX15 P16050 2/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TP53 P04637 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
HMOX1 P09601 1/20 0.34
TSHR P16473 1/20 0.34
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 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
SCHEMBL28476961 1.00 ERBB2 (0.57) ERBB2MINK1ALDH1A1KDM4EALOX15
SCHEMBL22397959 0.91 ERBB2 (0.59) ERBB2MINK1ALDH1A1KDM4EALOX15
SCHEMBL28475196 0.91 ERBB2 (0.59) ERBB2MINK1ALDH1A1KDM4EALOX15
SCHEMBL22398092 0.80 ERBB2 (0.63) ERBB2MINK1MAPTHMOX1
SCHEMBL22397990 0.80 ERBB2 (0.63) ERBB2MINK1MAPTHMOX1
SCHEMBL22398026 0.80 ERBB2 (0.60) ERBB2MINK1HMOX1
SCHEMBL22398024 0.80 ERBB2 (0.60) ERBB2MINK1HMOX1
SCHEMBL22397921 0.79 ERBB2 (0.62) ERBB2MINK1HMOX1
SCHEMBL22397918 0.79 ERBB2 (0.62) ERBB2MINK1HMOX1
SCHEMBL22398004 0.79 ERBB2 (0.57) ERBB2MINK1HMOX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111886234-B Heterocyclic mitochondrial activity inhibitors and uses thereof 蒙特利尔大学 2023-12-15 CN 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-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 (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 1781/4885ALDH1A1 2036/4885
US-20210387980-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF IDH2, TFAM, NUTF2 ERBB2 2443/4885MINK1 1986/4885ALDH1A1 2100/4885
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, NUTF2 ERBB2 2443/4885MINK1 1986/4885ALDH1A1 2100/4885

“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.