SCHEMBL22398145

SCHEMBL22398145

C(=C/c1nc(COc2ccc(CCCCn3ccnn3)cc2)co1)\c1cccnc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.72
MINK1 Q8N4C8 1/20 0.72
ATP4A P20648 4/20 0.34
ATP4B P51164 4/20 0.34
FFAR1 O14842 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SERPINE1 P05121 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPK1 P28482 1/20 0.31
NAMPT P43490 1/20 0.30
MEN1 O00255 1/20 0.30
XBP1 P17861 1/20 0.30
KMT2A Q03164 1/20 0.30
HMOX1 P09601 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
SCHEMBL28472667 1.00 ERBB2 (0.72) ERBB2MINK1ATP4AATP4BFFAR1
SCHEMBL5759417 0.91 ERBB2 (0.80) ERBB2MINK1ATP4AATP4BFFAR1
SCHEMBL5759422 0.91 ERBB2 (0.80) ERBB2MINK1ATP4AATP4BFFAR1
SCHEMBL28473428 0.90 ERBB2 (0.82) ERBB2MINK1ATP4AATP4BFFAR1
SCHEMBL22398131 0.90 ERBB2 (0.82) ERBB2MINK1ATP4AATP4BFFAR1
SCHEMBL5759315 0.89 ERBB2 (0.75) ERBB2MINK1ATP4AATP4BFFAR1
SCHEMBL5759321 0.89 ERBB2 (0.75) ERBB2MINK1ATP4AATP4BFFAR1
SCHEMBL22397926 0.87 ERBB2 (0.81) ERBB2MINK1ATP4AATP4BFFAR1
SCHEMBL28480663 0.87 ERBB2 (0.81) ERBB2MINK1ATP4AATP4BFFAR1
SCHEMBL26316653 0.87 ERBB2 (0.70) ERBB2MINK1ATP4AATP4BFFAR1

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 1781/4885ATP4A 1129/4885
US-20210387980-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF IDH2, TFAM, NUTF2 ERBB2 2443/4885MINK1 1986/4885ATP4A 1802/4885
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, NUTF2 ERBB2 2443/4885MINK1 1986/4885ATP4A 1802/4885

“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.