SCHEMBL26316576

SCHEMBL26316576

Cc1ccc(/C=C/c2nc(COc3ccc(CCCCn4cc(CN5CCS(=O)(=O)CC5)nn4)cc3)co2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.51
MINK1 Q8N4C8 1/20 0.51
CYP19A1 P11511 2/20 0.37
CA9 Q16790 5/20 0.37
TYR P14679 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADRB2 P07550 1/20 0.34
CA12 O43570 3/20 0.34
EP300 Q09472 3/20 0.34
ABCB1 P08183 1/20 0.34
ABCC1 P33527 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
CA2 P00918 1/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
TTBK1 Q5TCY1 1/20 0.33
TTBK2 Q6IQ55 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
SCHEMBL28475238 0.91 ERBB2 (0.64) ERBB2MINK1CA9
SCHEMBL24111630 0.91 ERBB2 (0.64) ERBB2MINK1CA9
SCHEMBL26316717 0.91 ERBB2 (0.45) ERBB2MINK1CA9CA12EP300
SCHEMBL26316562 0.84 ERBB2 (0.57) ERBB2MINK1CYP19A1CA9TYR
SCHEMBL26316569 0.83 ERBB2 (0.56) ERBB2MINK1CYP19A1CA9TYR
SCHEMBL26316571 0.83 ERBB2 (0.56) ERBB2MINK1CYP19A1CA9TYR
SCHEMBL22398270 0.83 ERBB2 (0.54) ERBB2MINK1CA9TYRADRB2
SCHEMBL31130682 0.83 ERBB2 (0.52) ERBB2MINK1CA9CA12EP300
SCHEMBL24111974 0.83 ERBB2 (0.52) ERBB2MINK1CA9CA12EP300
SCHEMBL28476083 0.83 ERBB2 (0.52) ERBB2MINK1CA9CA12EP300

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 1781/4885CYP19A1 1319/4885
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, NUTF2 ERBB2 2443/4885MINK1 1986/4885CYP19A1 1109/4885

“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.