SCHEMBL26316715

SCHEMBL26316715

Cc1ccc(/C=C/c2nc(COc3ccc(CCCCn4cc(CCOC(=O)NC(C)C)nn4)cc3)co2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.49
MINK1 Q8N4C8 1/20 0.49
ADRB2 P07550 6/20 0.42
TYR P14679 1/20 0.37
CA9 Q16790 2/20 0.36
ALOX5 P09917 1/20 0.35
HDAC1 Q13547 1/20 0.35
EP300 Q09472 1/20 0.34
ABCB1 P08183 1/20 0.34
ABCC1 P33527 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
CYP19A1 P11511 2/20 0.34
NCF1 P14598 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 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
SCHEMBL24112040 0.92 ERBB2 (0.61) ERBB2MINK1ADRB2CA9ALOX5
SCHEMBL26316712 0.90 ERBB2 (0.49) ERBB2MINK1ADRB2TYRCA9
SCHEMBL26316711 0.88 ERBB2 (0.53) ERBB2MINK1ADRB2TYRCA9
SCHEMBL26316562 0.85 ERBB2 (0.57) ERBB2MINK1ADRB2TYRCA9
SCHEMBL26316569 0.85 ERBB2 (0.56) ERBB2MINK1ADRB2TYRCA9
SCHEMBL22397930 0.84 ERBB2 (0.49) ERBB2MINK1ADRB2HDAC1EP300
SCHEMBL28481977 0.84 ERBB2 (0.49) ERBB2MINK1ADRB2HDAC1EP300
SCHEMBL26316571 0.83 ERBB2 (0.56) ERBB2MINK1ADRB2TYRCA9
SCHEMBL26316840 0.82 ERBB2 (0.54) ERBB2MINK1ADRB2TYRCA9
SCHEMBL24112023 0.82 ERBB2 (0.60) ERBB2MINK1ADRB2CA9HDAC1

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 1781/4885ADRB2 4491/4885
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, NUTF2 ERBB2 2443/4885MINK1 1986/4885ADRB2 4511/4885

“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.