SCHEMBL22397960

SCHEMBL22397960

O=[N+]([O-])c1cccc(/C=C/c2nc(COc3ccc(CCCCn4ccnn4)cc3)co2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.66
MINK1 Q8N4C8 1/20 0.66
F2 P00734 4/20 0.36
MAPT P10636 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 3/20 0.36
NFE2L2 Q16236 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 2/20 0.35
MAOB P27338 1/20 0.35
GSR P00390 1/20 0.35
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP19A1 P11511 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 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
SCHEMBL28476915 1.00 ERBB2 (0.66) ERBB2MINK1F2MAPTSMN1; SMN2
SCHEMBL22397950 0.91 ERBB2 (0.74) ERBB2MINK1MAPTLMNACYP19A1
SCHEMBL22397951 0.91 ERBB2 (0.74) ERBB2MINK1MAPTLMNACYP19A1
SCHEMBL26316653 0.87 ERBB2 (0.70) ERBB2MINK1MAPTSMN1; SMN2MAOB
SCHEMBL22397989 0.87 ERBB2 (0.62) ERBB2MINK1MAPTSMN1; SMN2RXFP1
SCHEMBL22397986 0.87 ERBB2 (0.62) ERBB2MINK1MAPTSMN1; SMN2RXFP1
SCHEMBL5759422 0.86 ERBB2 (0.80) ERBB2MINK1MAPT
SCHEMBL5759417 0.86 ERBB2 (0.80) ERBB2MINK1MAPT
SCHEMBL28469243 0.86 ERBB2 (0.63) ERBB2MINK1MAPTSMN1; SMN2ALDH1A1
SCHEMBL22398201 0.86 ERBB2 (0.63) ERBB2MINK1MAPTSMN1; SMN2ALDH1A1

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 1781/4885F2 4572/4885
US-20210387980-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF IDH2, TFAM, NUTF2 ERBB2 2443/4885MINK1 1986/4885F2 4575/4885
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, NUTF2 ERBB2 2443/4885MINK1 1986/4885F2 4575/4885

“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.