SCHEMBL22397950

SCHEMBL22397950

O=[N+]([O-])c1ccc(/C=C/c2nc(COc3ccc(CCCCn4ccnn4)cc3)co2)cc1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.74
MINK1 Q8N4C8 1/20 0.74
PTGS2 P35354 2/20 0.37
LMNA P02545 1/20 0.37
CYP19A1 P11511 2/20 0.37
BACE1 P56817 1/20 0.36
KCNH2 Q12809 2/20 0.34
KCNJ1 P48048 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL22397951 1.00 ERBB2 (0.74) ERBB2MINK1PTGS2LMNACYP19A1
SCHEMBL22397960 0.91 ERBB2 (0.66) ERBB2MINK1LMNACYP19A1MAPT
SCHEMBL28476915 0.91 ERBB2 (0.66) ERBB2MINK1LMNACYP19A1MAPT
SCHEMBL22397926 0.88 ERBB2 (0.81) ERBB2MINK1
SCHEMBL28480663 0.88 ERBB2 (0.81) ERBB2MINK1
SCHEMBL22397989 0.88 ERBB2 (0.62) ERBB2MINK1LMNACYP19A1BACE1
SCHEMBL22397986 0.88 ERBB2 (0.62) ERBB2MINK1LMNACYP19A1BACE1
SCHEMBL22398052 0.88 ERBB2 (0.80) ERBB2MINK1CYP19A1BACE1
SCHEMBL22398093 0.88 ERBB2 (0.80) ERBB2MINK1
SCHEMBL22397904 0.88 ERBB2 (0.80) ERBB2MINK1PTGS2CYP19A1

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 1781/4885PTGS2 1763/4885
US-20210387980-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF IDH2, TFAM, NUTF2 ERBB2 2443/4885MINK1 1986/4885PTGS2 1877/4885
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, NUTF2 ERBB2 2443/4885MINK1 1986/4885PTGS2 1877/4885

“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.