SCHEMBL26316771

SCHEMBL26316771

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.52
MINK1 Q8N4C8 1/20 0.52
NCF1 P14598 7/20 0.37
ABCB1 P08183 3/20 0.34
ABCC1 P33527 3/20 0.34
ABCG2 Q9UNQ0 3/20 0.34
CA9 Q16790 3/20 0.34
CA12 O43570 2/20 0.34
ADRB2 P07550 1/20 0.34
CYP19A1 P11511 2/20 0.33
CYBB P04839 1/20 0.33
NOX5 Q96PH1 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
SCHEMBL28470008 0.91 ERBB2 (0.59) ERBB2MINK1NCF1CA9CA12
SCHEMBL26316790 0.91 ERBB2 (0.49) ERBB2MINK1NCF1ABCB1ABCC1
SCHEMBL24112000 0.91 ERBB2 (0.59) ERBB2MINK1NCF1CA9CA12
SCHEMBL26316579 0.87 ERBB2 (0.69) ERBB2MINK1NCF1
SCHEMBL26316779 0.86 ERBB2 (0.51) ERBB2MINK1
SCHEMBL24112005 0.86 ERBB2 (0.54) ERBB2MINK1
SCHEMBL26316783 0.86 ERBB2 (0.50) ERBB2MINK1NCF1ABCB1ABCC1
SCHEMBL26316717 0.85 ERBB2 (0.45) ERBB2MINK1NCF1ABCB1ABCC1
SCHEMBL24112048 0.85 ERBB2 (0.65) ERBB2MINK1
SCHEMBL26316719 0.84 ERBB2 (0.46) ERBB2MINK1

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 1781/4885NCF1 262/4885
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, NUTF2 ERBB2 2443/4885MINK1 1986/4885NCF1 277/4885

“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.