SCHEMBL26316908

SCHEMBL26316908

Cc1ccc(/C=C/c2nc(COc3ccc(CCCCN4CCS(=O)(=O)CC4)cc3)co2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.45
MINK1 Q8N4C8 1/20 0.45
HTR1A P08908 2/20 0.34
DRD2 P14416 2/20 0.34
HTR2A P28223 2/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR7 P34969 1/20 0.34
DRD3 P35462 1/20 0.34
HRH3 Q9Y5N1 5/20 0.34
KCNH2 Q12809 2/20 0.34
ATP4A P20648 4/20 0.33
ATP4B P51164 4/20 0.33
HPGD P15428 2/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
APP P05067 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
SCHEMBL26316717 0.90 ERBB2 (0.45) ERBB2MINK1
SCHEMBL28469621 0.89 ERBB2 (0.53) ERBB2MINK1DRD2SLC6A4HRH3
SCHEMBL24112060 0.89 ERBB2 (0.53) ERBB2MINK1DRD2SLC6A4HRH3
SCHEMBL26316800 0.83 ERBB2 (0.50) ERBB2MINK1ATP4AATP4BFFAR1
SCHEMBL26316719 0.83 ERBB2 (0.46) ERBB2MINK1ATP4AATP4BUSP2
SCHEMBL26316807 0.82 ERBB2 (0.46) ERBB2MINK1ATP4AATP4BFFAR1
SCHEMBL26316912 0.82 ERBB2 (0.47) ERBB2MINK1ATP4AATP4BHPGD
SCHEMBL26316779 0.82 ERBB2 (0.51) ERBB2MINK1ALDH1A1FFAR1
SCHEMBL24112005 0.82 ERBB2 (0.54) ERBB2MINK1HPGDFFAR1KMT2A
SCHEMBL26316783 0.81 ERBB2 (0.50) ERBB2MINK1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 1781/4885HTR1A 4817/4885
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, NUTF2 ERBB2 2443/4885MINK1 1986/4885HTR1A 4792/4885

“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.