SCHEMBL22397998

SCHEMBL22397998

O=[N+]([O-])c1ccc(/C=C/c2nc(COc3ccc(CCCCn4ccnn4)cc3)co2)c(Oc2ccc(CCCCn3ccnn3)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.59
MINK1 Q8N4C8 1/20 0.59
CA9 Q16790 2/20 0.34
CYP19A1 P11511 3/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.32
CNR1 P21554 2/20 0.32
ACHE P22303 2/20 0.32
CNR2 P34972 2/20 0.32
MAPT P10636 2/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL28480665 1.00 ERBB2 (0.59) ERBB2MINK1CA9CYP19A1CA12
SCHEMBL22397989 0.91 ERBB2 (0.62) ERBB2MINK1CA9CYP19A1CA12
SCHEMBL22397986 0.91 ERBB2 (0.62) ERBB2MINK1CA9CYP19A1CA12
SCHEMBL22397950 0.87 ERBB2 (0.74) ERBB2MINK1CYP19A1LMNAMAPT
SCHEMBL22397951 0.87 ERBB2 (0.74) ERBB2MINK1CYP19A1LMNAMAPT
SCHEMBL28476915 0.86 ERBB2 (0.66) ERBB2MINK1CYP19A1LMNAMAPT
SCHEMBL22397960 0.86 ERBB2 (0.66) ERBB2MINK1CYP19A1LMNAMAPT
SCHEMBL22398201 0.84 ERBB2 (0.63) ERBB2MINK1CYP19A1LMNAMAPT
SCHEMBL28469243 0.84 ERBB2 (0.63) ERBB2MINK1CYP19A1LMNAMAPT
SCHEMBL30632955 0.81 CYP19A1 (0.37) ERBB2MINK1CA9CYP19A1CA12

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 1781/4885CA9 1852/4885
US-20210387980-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF IDH2, TFAM, NUTF2 ERBB2 2443/4885MINK1 1986/4885CA9 2232/4885
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, NUTF2 ERBB2 2443/4885MINK1 1986/4885CA9 2232/4885

“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.