SCHEMBL26316738

SCHEMBL26316738

Cc1ccc(/C=C/c2nc(COc3ccc(CCCCNC(=O)OC(C)(C)C)cc3)co2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 2/20 0.48
MINK1 Q8N4C8 1/20 0.48
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA9 Q16790 4/20 0.41
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ATM Q13315 1/20 0.39
SUCNR1 Q9BXA5 3/20 0.38
PPARA Q07869 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
PPARG P37231 1/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL28476078 0.91 ERBB2 (0.60) ERBB2MINK1PPARA
SCHEMBL24111978 0.91 ERBB2 (0.60) ERBB2MINK1PPARA
SCHEMBL24111977 0.85 CA12 (0.44) CA12CA1CA2CA9MAPT
SCHEMBL26316563 0.82 ERBB2 (0.54) ERBB2MINK1PPARALMNAPPARG
SCHEMBL22398010 0.81 ERBB2 (0.64) ERBB2MINK1PPARAFFAR1
SCHEMBL22398011 0.81 ERBB2 (0.64) ERBB2MINK1PPARAFFAR1
SCHEMBL26316662 0.81 ERBB2 (0.53) ERBB2MINK1PPARAPPARGFFAR1
SCHEMBL26316639 0.79 ERBB2 (0.51) ERBB2MINK1PPARAPPARGFFAR1
SCHEMBL26316663 0.79 ERBB2 (0.53) ERBB2MINK1PPARAPPARGFFAR1
SCHEMBL26316636 0.79 ERBB2 (0.48) ERBB2MINK1PPARAPPARGFFAR1

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 1781/4885CA12 2259/4885
US-11760754-B2 Heterocyclic mitochondrial activity inhibitors and uses thereof IDH2, TFAM, NUTF2 ERBB2 2443/4885MINK1 1986/4885CA12 2519/4885

“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.