SCHEMBL26316717

SCHEMBL26316717

Cc1ccc(/C=C/c2nc(COc3ccc(CCCCn4cc(CN5CCS(=O)(=O)CC5)nn4)cc3)co2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.45
MINK1 Q8N4C8 1/20 0.45
ABCC1 P33527 5/20 0.35
ABCG2 Q9UNQ0 5/20 0.35
ABCB1 P08183 4/20 0.35
NCF1 P14598 4/20 0.35
CA9 Q16790 4/20 0.35
CA12 O43570 2/20 0.35
EP300 Q09472 2/20 0.34

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
SCHEMBL31130682 0.91 ERBB2 (0.52) ERBB2MINK1NCF1CA9CA12
SCHEMBL24111974 0.91 ERBB2 (0.52) ERBB2MINK1NCF1CA9CA12
SCHEMBL28476083 0.91 ERBB2 (0.52) ERBB2MINK1NCF1CA9CA12
SCHEMBL26316576 0.91 ERBB2 (0.51) ERBB2MINK1ABCC1ABCG2ABCB1
SCHEMBL26316908 0.90 ERBB2 (0.45) ERBB2MINK1
SCHEMBL26316790 0.85 ERBB2 (0.49) ERBB2MINK1ABCC1ABCG2ABCB1
SCHEMBL26316771 0.85 ERBB2 (0.52) ERBB2MINK1ABCC1ABCG2ABCB1
SCHEMBL24111630 0.85 ERBB2 (0.64) ERBB2MINK1CA9
SCHEMBL28475238 0.85 ERBB2 (0.64) ERBB2MINK1CA9
SCHEMBL22398288 0.82 ERBB2 (0.53) ERBB2MINK1NCF1EP300

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 1781/4885ABCC1 630/4885
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, NUTF2 ERBB2 2443/4885MINK1 1986/4885ABCC1 772/4885

“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.